Jinlong Yang

发表

Accelerating excitation energy computation in molecules and solids within linear response time-dependent density functional theory via interpolative separable density fitting decomposition.

Chao Yang, Wei Hu, Jie Liu, 2020, Journal of chemical theory and computation.

Global minimum structures of morse clusters as a function of the range of the potential: 81

Jinlong Yang, Longjiu Cheng, 2007, The journal of physical chemistry. A.

Wet Electrons at the H2O/TiO2(110) Surface

Jinlong Yang, K. Jordan, H. Petek, 2005, Science.

Graphene Thickness Control via Gas-Phase Dynamics in Chemical Vapor Deposition

Jinlong Yang, Xiaodong Fan, J. Hou, 2012 .

Metallic few-layered VS2 ultrathin nanosheets: high two-dimensional conductivity for in-plane supercapacitors.

Jinlong Yang, Yi Xie, Lele Peng, 2011, Journal of the American Chemical Society.

Funnel hopping: Searching the cluster potential energy surface over the funnels.

Yan Feng, Longjiu Cheng, Jinlong Yang, 2009, The Journal of chemical physics.

Morphological evolution of Cu2O nanocrystals in an acid solution: stability of different crystal planes.

Jinlong Yang, Wenhua Zhang, Yunsheng Ma, 2011, Langmuir : the ACS journal of surfaces and colloids.

Coronoid nanographene C216 as hydrogen purification membrane: A density functional theory study

Jinlong Yang, Wei Liu, Yafei Dai, 2018, Carbon.

Theoretical study of molecular nitrogen adsorption on Au clusters

Jinlong Yang, Q. Fu, X. Zhang, 2005 .

An efficient adaptive variational quantum solver of the Schrödinger equation based on reduced density matrices.

Jie Liu, Jinlong Yang, Zhenyu Li, 2020, The Journal of chemical physics.

Rocking-Chair Configuration in Ultrathin Lithium Vanadate-Graphene Hybrid Nanosheets for Electrical Modulation

Jinlong Yang, Yi Xie, Wensheng Yan, 2013, Scientific Reports.

Bilayer Graphene Growth via a Penetration Mechanism

Jinlong Yang, Ping Wu, Zhenyu Li, 2014, 1403.4323.

Low-temperature growth of graphene by chemical vapor deposition using solid and liquid carbon sources.

Jinlong Yang, Xiaodong Fan, Zhenyu Li, 2011, ACS nano.

Theoretical study of the molecular and electronic structure of methanol on a TiO2(110) surface

Jinlong Yang, H. Petek, Jin Zhao, 2009 .

Ultrafast Interfacial Proton-Coupled Electron Transfer

Jinlong Yang, K. Jordan, H. Petek, 2006, Science.

Site-specific photocatalytic splitting of methanol on TiO2(110)

Jinlong Yang, Zhibo Ma, A. Wodtke, 2010 .

Superatom networks in thiolate-protected gold nanoparticles.

Jinlong Yang, Longjiu Cheng, Yuan Yuan, 2013, Angewandte Chemie.

Mono-cadmium vs Mono-mercury Doping of Au25 Nanoclusters.

Jinlong Yang, Zhikun Wu, Yue-jian Lin, 2015, Journal of the American Chemical Society.

Is the kernel–staples match a key–lock match?

Jinlong Yang, Zhikun Wu, H. Deng, 2018, Chemical science.

New insight into the electronic shell of Au(38)(SR)(24): a superatomic molecule.

Jinlong Yang, Longjiu Cheng, Xiuzhen Zhang, 2013, Nanoscale.

Electronic Stability of Phosphine-Protected Au20 Nanocluster: Superatomic Bonding

Jinlong Yang, Longjiu Cheng, Yuan Yuan, 2013 .

Superionic phase transition in silver chalcogenide nanocrystals realizing optimized thermoelectric performance.

Kun Li, Chong Xiao, Yi Xie, 2012, Journal of the American Chemical Society.

Negative differential resistance in a hybrid silicon-molecular system: resonance between the intrinsic surface-states and the molecular orbital.

Jinlong Yang, B. Wang, J. Hou, 2012, ACS nano.

HONPAS: A linear scaling open‐source solution for large system simulations

Xinming Qin, Zhenyu Li, Honghui Shang, 2015 .

Important structural factors controlling the conductance of DNA pairs in molecular junctions

Jinlong Yang, Yi Luo, Xiao-Fei Li, 2010 .

Edge-Modified Phosphorene Nanoflake Heterojunctions as Highly Efficient Solar Cells.

Jun Dai, Chao Yang, Wei Hu, 2016, Nano letters.

Porous Boron Nitride with Tunable Pore Size.

Xiaojun Wu, Jun Dai, Xiao Cheng Zeng, 2014, The journal of physical chemistry letters.

Unusual Metallic Microporous Boron Nitride Networks

Jinlong Yang, Xiaojun Wu, X. Zeng, 2013 .

Significantly Enhanced Charge Separation in Rippled Monolayer Graphitic C3N4

Jinlong Yang, Jiuyu Sun, Xingxing Li, 2019, ChemCatChem.

Non-perturbative Super-exchange Interaction for High Curie Temperature in Intrinsic Magnetic Semiconductor

Jinlong Yang, W. Zhu, Xingxing Li, 2021, 2110.07372.

Two-dimensional boron monolayer sheets.

Xiaojun Wu, Jun Dai, Yu Zhao, 2012, ACS nano.

Adsorption of CO on Rutile TiO2 (110)-1 × 1 Surface with Preadsorbed O Adatoms

Jinlong Yang, B. Wang, J. Hou, 2010 .

Frontier orbitals analysis and density-functional energetics for metal-substituted fullerene C58Fe2

Jinlong Yang, Yuzhen Liu, K. Deng, 2007 .

Geometric and electronic structures of metal-substitutional fullerene C59Sm and metal-exohedral fullerenes C60Sm.

Jinlong Yang, Haiping Wu, K. Deng, 2006, The Journal of chemical physics.

Theoretical Investigation on Icosahedral C-60(FeCp)(12): A Hybrid of C-60 and Ferrocene

Jinlong Yang, Longjiu Cheng, Chang Xu, 2015 .

Probing intramolecular vibronic coupling through vibronic-state imaging

Jinlong Yang, Yi Luo, Yang Zhang, 2021, Nature Communications.

Sub-nanometre control of the coherent interaction between a single molecule and a plasmonic nanocavity

Jinlong Yang, J. Aizpurua, Yi Luo, 2017, Nature Communications.

Understanding of Strain Effects in the Electrochemical Reduction of CO2 : Using Pd Nanostructures as an Ideal Platform.

Jinlong Yang, P. Gao, Zhenlin Luo, 2017, Angewandte Chemie.

Density-functional energetics and frontier orbitals analysis for the derivatives of the nonclassical four-membered ring fullerene C62

Jinlong Yang, Haiping Wu, K. Deng, 2006 .

ELECTRON TOPOLOGICAL AND ENERGETIC STUDY OF THE INTERMOLECULAR HALOGEN BONDING INTERACTIONS IN COMPLEXES H2O ⋯ M (M = F2, ClF, ANDCF4)

Jinlong Yang, S. Tian, Haibei Li, 2009 .

Kondo screening and spin excitation in few-layer CoPc molecular assembly stacking on Pb(111) surface: A DFT+HEOM study.

Jinlong Yang, Yu Wang, Xiaoying Zheng, 2016, The Journal of chemical physics.

Visually constructing the chemical structure of a single molecule by scanning Raman picoscopy

Jinlong Yang, Yi Luo, Yang Zhang, 2019, National science review.

An investigation of electron momentum spectroscopy for ethane

Jinlong Yang, S. Tian, F. Shuang, 1998 .

Proposal of a stable B3S nanosheet as an efficient hydrogen evolution catalyst

Jinlong Yang, Hong Wu, Xingxing Li, 2019, Journal of Materials Chemistry A.

Structure sensitivity of low-temperature NO decomposition on Au surfaces

Jinlong Yang, Wenhua Zhang, Yunsheng Ma, 2013 .

Activating Edge Sites on Pd Catalysts for Selective Hydrogenation of Acetylene via Selective Ga2O3 Decoration

Jinlong Yang, Junling Lu, Wenhua Zhang, 2016 .

Hydroxyls-induced oxygen activation on inert Au nanoparticles for low-temperature CO oxidation

Jinlong Yang, Huaxing Sun, Shiqiang Wei, 2011 .

What are the adsorption sites for CO on the reduced TiO2(110)-1 x 1 surface?

Jinlong Yang, Yi Luo, J. Hou, 2009, Journal of the American Chemical Society.

Structural, electronic, and optical properties of hybrid silicene and graphene nanocomposite.

Wei Hu, Jinlong Yang, Zhenyu Li, 2013, The Journal of chemical physics.

Room temperature electrofreezing of water yields a missing dense ice phase in the phase diagram

Jinlong Yang, Jijun Zhao, Honghui Wu, 2019, Nature Communications.

Realizing Two-Dimensional Magnetic Semiconductors with Enhanced Curie Temperature by Antiaromatic Ring Based Organometallic Frameworks.

Jinlong Yang, Xingxing Li, 2019, Journal of the American Chemical Society.

Oscillation of Work Function during Reducible Metal Oxide Catalysis and Correlation with the Activity Property

Jinlong Yang, Dezhen Wu, Xiaochen Shen, 2020, ChemCatChem.

A theoretical study of small copper oxide clusters: Cu2Ox (x = 1 - 4).

Jinlong Yang, Bing Dai, Li Tian, 2004, The Journal of chemical physics.

Electric-Field Tunable Magnetism in van der Waals Bilayers with A-Type Antiferromagnetic Order: Unipolar versus Bipolar Magnetic Semiconductor.

Jinlong Yang, Xiaojun Wu, Haifeng Lv, 2021, Nano letters.

[Ti12In6O18(OOCC6H5)30]: a multifunctional hetero-polyoxotitanate nanocluster with high stability and visible photoactivity.

Wei Hu, Jinlong Yang, Wenlong Liu, 2017, Dalton transactions.

Geometric and Electronic Properties of Metallofullerene Fe@C60†

Jinlong Yang, Xin Wang, K. Deng, 2006 .

Accurate Determination of the Quasiparticle and Scaling Properties Surrounding the Quantum Critical Point of Disordered Three-Dimensional Dirac Semimetals.

Wei Zhu, Jinlong Yang, Bo Fu, 2017, Physical review letters.

Low-threshold amplification of spontaneous emission from AgInS2 quantum dots

Jinlong Yang, Y. Leng, Xiaosheng Tang, 2020 .

Realizing CsPbBr3 Light-Emitting Diode Arrays Based on PDMS Template Confined Solution Growth of Single-Crystalline Perovskite.

Jinlong Yang, Huaiyi Ding, Nan Pan, 2020, The journal of physical chemistry letters.

Direct visualization of straw cell walls by AFM.

Jinlong Yang, Lifeng Yan, Qing-shi Zhu, 2004, Macromolecular bioscience.

Partially oxidized atomic cobalt layers for carbon dioxide electroreduction to liquid fuel

Jinlong Yang, Dianqi Li, Yi Xie, 2016, Nature.

Gold-Doping of Double-Crown Pd Nanoclusters.

Jinlong Yang, Shiming Zhou, Zhikun Wu, 2017, Chemistry.

From isosuperatoms to isosupermolecules: new concepts in cluster science.

Jinlong Yang, Longjiu Cheng, Lan-feng Yuan, 2016, Nanoscale.

A density functional study on cationic Au(n)Cu(m)+ clusters and their monocarbonyls.

Jinlong Yang, Yu Zhao, Zhenyu Li, 2009, Physical chemistry chemical physics : PCCP.

Density functional theory study of Wn (n=2–4) clusters

Jinlong Yang, X. Zhang, Xunlei Ding, 2005 .

DENSITY FUNCTIONAL THEORY STUDY OF W5 CLUSTERS

Jinlong Yang, X. Zhang, Xunlei Ding, 2005 .

Improving electron injection in all-inorganic perovskite light-emitting diode via electron transport layer modulation

Jinlong Yang, Huaiyi Ding, Nan Pan, 2019, Optik.

Rational Design of Two-dimensional Anode Materials: B2S as a Strained Graphene.

Jinlong Yang, Zhenyu Li, Pai Li, 2018, The journal of physical chemistry letters.

Controllable p and n doping of single-walled carbon nanotubes by encapsulation of organic molecules and fullerene: A theoretical investigation

Jinlong Yang, W. Liang, Jin Sun, 2005 .

Bimetal Doping in Nanoclusters: Synergistic or Counteractive?

Jinlong Yang, Zhikun Wu, Yue-jian Lin, 2016 .

Structures and magnetism of mono-palladium and mono-platinum doped Au25(PET)18 nanoclusters.

Jinlong Yang, Zhikun Wu, Jinyun Yuan, 2016, Chemical communications.

Mono-Mercury Doping of Au25 and the HOMO/LUMO Energies Evaluation Employing Differential Pulse Voltammetry.

Jinlong Yang, Shiming Zhou, Cen-Feng Fu, 2015, Journal of the American Chemical Society.

Structural Evolution and Electronic Properties of VnC2(0/-) and VnC4(0/-) (n = 1-6) Clusters: Insights from Photoelectron Spectroscopy and Theoretical Calculations.

Jinlong Yang, G. Feng, Jinyun Yuan, 2016, The journal of physical chemistry. A.

Geometries, electronic structures and bonding of bimetallic AlCon0/− clusters (n = 1–5): A density functional study

Jinlong Yang, Yubing Si, Donghai Wu, 2016 .

Linear Band-Gap Modulation of Graphane Nanoribbons under Uniaxial Elastic Strain: A Density Functional Theory Study

Jinlong Yang, Yan Zhang, Xiaojun Wu, 2012 .

Adding two active silver atoms on Au₂₅ nanoparticle.

Jinlong Yang, Zhikun Wu, Jishi Chen, 2015, Nano letters.

Spin-Crossover and Coherent Transport Behaviors of a Six-Coordinate Iron(II) Complex with a N4O2 Donor Set

Jinlong Yang, Qunxiang Li, Jing Huang, 2019, The Journal of Physical Chemistry C.

A comparative investigation on electronic structures and optical properties of C60 polymers, periodic fulleriods and carbon nanotubes

Jinlong Yang, W. Liang, Jin Sun, 2005 .

First principles design of spintronics materials

Jinlong Yang, Xingxing Li, 2016 .

Crystal and Solution Photoluminescence of MAg24(SR)18 (M = Ag/Pd/Pt/Au) Nanoclusters and Some Implications for the Photoluminescence Mechanisms

Jinlong Yang, X. Liu, Zhikun Wu, 2017 .

Methanol-Selective Oxidation Pathways on Au Surfaces: A First-Principles Study

Jinlong Yang, Chaozheng He, Lei Wang, 2014 .

Conduction Mechanism of Aviram−Ratner Rectifiers with Single Pyridine−σ−C60 Oligomers

Jinlong Yang, B. Wang, J. Hou, 2006 .

Tunable Electronic and Magnetic Properties of Graphene Flake-Doped Boron Nitride Nanotubes

Jinlong Yang, Xiaojun Wu, Z. Guan, 2014 .

A new phase of the two-dimensional ReS2 sheet with tunable magnetism

Jinlong Yang, Zhongti Sun, Xiaojun Wu, 2018 .

Atomic and Molecular Chemisorption of Oxygen in WO4 Clusters

Jinlong Yang, Zhao-ying Chen, 2007 .

A class of Pb-free double perovskite halide semiconductors with intrinsic ferromagnetism, large spin splitting and high Curie temperature

Jinlong Yang, H. Zeng, Shengli Zhang, 2018 .

Control of spin in a La(Mn,Zn)AsO alloy by carrier doping

Jinlong Yang, Xiaojun Wu, Xingxing Li, 2013, 1308.0439.

Is mayenite without clathrated oxygen an inorganic electride?

Jinlong Yang, J. Hou, Zhenyu Li, 2004, Angewandte Chemie.

Bamboolike carbon nitride nanotubes (C9N5H3): Atomic-scale construction, synthesis and lithium battery applications

Jinlong Yang, Yi Xie, Changzheng Wu, 2007 .

High-performance photocatalytic nonoxidative conversion of methane to ethane and hydrogen by heteroatoms-engineered TiO2

Jinlong Yang, Cen-Feng Fu, Yihong Chen, 2022, Nature Communications.

A Density Functional Study of the Nonlinear Optical Properties of Edge-Functionalized Nonplanar Nanographenes.

Jinlong Yang, Zhenyu Li, Yafei Dai, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

Density Functional Study of Nonlinear Optical Properties of Grossly Warped Nanographene C80H30

Jinlong Yang, Yafei Dai, Zhenyu Li, 2014 .

Formation of Plasmonic Polarons in Highly Electron-Doped Anatase TiO2.

Jinlong Yang, Shijing Tan, Xiaofeng Liu, 2020, Nano letters.

Identification of single-atom active sites in carbon-based cobalt catalysts during electrocatalytic hydrogen evolution

Jinlong Yang, Wei Liu, Yuen Wu, 2018, Nature Catalysis.

ψ-Phosphorene: a new allotrope of phosphorene.

Jinlong Yang, Haidi Wang, Xingxing Li, 2017, Physical chemistry chemical physics : PCCP.

δ-Phosphorene: a two dimensional material with a highly negative Poisson's ratio.

Jinlong Yang, Haidi Wang, Xingxing Li, 2016, Nanoscale.

BP5 monolayer with multiferroicity and negative Poisson’s ratio: a prediction by global optimization method

Jinlong Yang, Haidi Wang, Jiuyu Sun, 2017, 1702.05207.

Two-Dimensional Multifunctional Metal–Organic Framework with Intrinsic Bipolar Magnetic Semiconductivity and Negative Poisson’s Ratio

Jinlong Yang, Xingxing Li, Qingqing Feng, 2022, ACS Applied Electronic Materials.

A first-principles study of NO adsorption and oxidation on Au(111) surface.

Jinlong Yang, Yi Luo, Wenhua Zhang, 2008, The Journal of chemical physics.

Me-graphene: a graphene allotrope with near zero Poisson's ratio, sizeable band gap, and high carrier mobility.

Jinlong Yang, Xiaojun Wu, Zhiwen Zhuo, 2020, Nanoscale.

Electrochemistry of P-C Bonds in Phosphorus-Carbon Based Anode Materials.

Jinlong Yang, Hengxing Ji, G. Zhong, 2022, ACS applied materials & interfaces.

Highly active and durable electrocatalytic water oxidation by a NiB0.45/NiOx core-shell heterostructured nanoparticulate film

Jinlong Yang, Licheng Sun, Wensheng Yan, 2017 .

Two-Dimensional Multifunctional Metal-Organic Frameworks with Simultaneous Ferro-/Ferrimagnetism and Vertical Ferroelectricity.

Jinlong Yang, Xingxing Li, Xiangyang Li, 2020, The journal of physical chemistry letters.

Competitive Transient Electrostatic Adsorption for In Situ Regeneration of Poisoned Catalyst

Jinlong Yang, Xiaochen Shen, Jie Zeng, 2019, ChemCatChem.

Are pyridinium ylides radicals?

Zijing Ding, Jinlong Yang, Yi Luo, 2020, Chemical communications.

Orbital-selective single molecule rectifier on graphene-covered Ru(0001) surface

Jinlong Yang, B. Wang, J. Hou, 2013 .

Precise electrical gating of the single-molecule Mizoroki-Heck reaction

Jinlong Yang, Chuancheng Jia, K. Houk, 2022, Nature Communications.

In Situ Low-Temperature Growth and Superior Luminescent Property of Well-Aligned, High-Quality Cubic CsPbBr3 Micrometer-Scale Single Crystal Arrays on Transparent Conductive Substrates.

Jinlong Yang, X. Kong, Huaiyi Ding, 2022, The journal of physical chemistry letters.

Dual-metal atoms embedded into two-dimensional covalent organic framework as efficient electrocatalysts for oxygen evolution reaction: A DFT study

Jinlong Yang, Li Sheng, Q. Luo, 2022, Nano Research.

Ultrafast Solid-State Transformation Pathway from New-Phased Goethite VOOH to Paramontroseite VO2 to Rutile VO2(R)

Jinlong Yang, Yi Xie, Changzheng Wu, 2011 .

Ab initio prediction of amorphous B84.

Jinlong Yang, X. Zeng, B. Shang, 2010, The journal of physical chemistry. A.

The Nanoparticle Size Effect in Graphene Cutting: A "Pac-Man" Mechanism.

Jinlong Yang, Jin Zhao, Zhenyu Li, 2016, Angewandte Chemie.

High-performance Zn battery with transition metal ions co-regulated electrolytic MnO2

Jinlong Yang, Zaichun Liu, Mingyan Chuai, 2021, eScience.

First-Principles Thermodynamics of Graphene Growth on Cu Surfaces

Jinlong Yang, Wenhua Zhang, Ping Wu, 2011, 1101.3851.

Large-scale synthesis of titanate and anatase tubular hierarchitectures.

Jinlong Yang, Yi Xie, Changzheng Wu, 2007, Small.

Evidence of van Hove singularities in ordered grain boundaries of graphene.

Jinlong Yang, B. Wang, Yi Luo, 2014, Physical review letters.

Communication: Coalescence of carbon atoms on Cu (111) surface: Emergence of a stable bridging-metal structure motif.

Jinlong Yang, J. Hou, Wenhua Zhang, 2010, The Journal of chemical physics.

Ab initio theoretical study of non-covalent adsorption of aromatic molecules on boron nitride nanotubes.

Jinlong Yang, Xiaojun Wu, X. Zeng, 2011, Physical chemistry chemical physics : PCCP.

Two-Dimensional Stoichiometric Boron Oxides as a Versatile Platform for Electronic Structure Engineering.

Jinlong Yang, Zhenyu Li, Ruiqi Zhang, 2017, The journal of physical chemistry letters.

How graphene is cut upon oxidation?

Jinlong Yang, J. Hou, Wenhua Zhang, 2009, Journal of the American Chemical Society.

Dual-metal atoms embedded into two-dimensional covalent organic framework as efficient electrocatalysts for oxygen evolution reaction: A DFT study

Jinlong Yang, Li Sheng, Q. Luo, 2022, Nano Research.

Copper nanocrystal plane effect on stereoselectivity of catalytic deoxygenation of aromatic epoxides.

Jinlong Yang, Yadong Li, Dingsheng Wang, 2015, Journal of the American Chemical Society.

In-situ activated polycation as a multifunctional additive for Li-S batteries

Changhong Wang, Jinlong Yang, W. Lu, 2016 .

Parallel Implementation of Large-Scale Linear Scaling Density Functional Theory Calculations With Numerical Atomic Orbitals in HONPAS

Wei Hu, Jinlong Yang, Xinming Qin, 2020, Frontiers in Chemistry.

Theoretical study of the stepwise protonation of the dioxo manganese(V) porphyrin.

Jinlong Yang, S. Tian, Haibei Li, 2008, The journal of physical chemistry. B.

First-principles Study of Geometric and Electronic Structures of Si(111)-√7 × √3-In Surface Reconstruction

Jinlong Yang, B. Shang, Lan-feng Yuan, 2012 .

Scanning tunneling spectroscopy of individual C60 molecules adsorbed on Si(111)-7×7 surface

Jinlong Yang, J. Hou, C. Zeng, 1999 .

Excited states of the 3d transition metal monoxides

Jinlong Yang, K. Deng, Qing-shi Zhu, 2003 .

Electronic and magnetic properties of V-doped anatase TiO2 from first principles

Jinlong Yang, H. Su, XiaoSong Du, 2006, cond-mat/0612206.

Synthetic haggite V(4)O(6)(OH)(4) nanobelts: oxyhydroxide as a new catalog of smart electrical switch materials.

Jinlong Yang, Yi Xie, Xiaodong Zhang, 2009, Journal of the American Chemical Society.

A Silver Nanocluster Containing Interstitial Sulfur and Unprecedented Chemical Bonds

Jinlong Yang, Zhikun Wu, Jinyun Yuan, 2018, Angewandte Chemie.

A Silver Nanocluster Containing Interstitial Sulfur and Unprecedented Chemical Bonds.

Jinlong Yang, Shiming Zhou, Zhikun Wu, 2018, Angewandte Chemie.

Theoretical study of nitric oxide adsorption on Au clusters.

Jinlong Yang, J. Hou, Zhenyu Li, 2004, The Journal of chemical physics.

Adsorption energies of molecular oxygen on Au clusters.

Jinlong Yang, J. Hou, Zhenyu Li, 2004, The Journal of chemical physics.

Multilayer C2N: Effect of Stacking Order and Number of Layers on Bandgap and Its Controlled Electronic Properties by External Electric Field

Jinlong Yang, Ruiqi Zhang, Bin Li, 2015, 1505.02584.

First-principles Study of the Interactions of Electron Donor and Acceptor Molecules with Phosphorene

Jinlong Yang, Ruiqi Zhang, Bin Li, 2014, 1409.7190.

High thermoelectric figure of merit in rhombic porous carbon nitride nanoribbons

Jinlong Yang, Qunxiang Li, Weiyi Wang, 2022, Journal of the Chinese Chemical Society.

Molecular molds for regularizing Kondo states at atom/metal interfaces

Jinlong Yang, Yi Luo, Yi Luo, 2020, Nature Communications.

Manipulation of spin and magnetic anisotropy in bilayer magnetic molecular junctions.

Jinlong Yang, Xiaoguang Li, Yu Wang, 2018, Physical chemistry chemical physics : PCCP.

Electron-phonon interaction in a Ca2N monolayer: Intrinsic mobility of electrene

Jinlong Yang, Zhenyu Li, Songtao Zhao, 2018, Physical Review B.

Identifying Photocatalytic Active Sites of C2H6 C-H Bond Activation on TiO2 via Combining First-Principles Ground-State and Excited-State Electronic Structure Calculations.

Wei Hu, Jie Liu, Jinlong Yang, 2022, The journal of physical chemistry letters.

Diamondization of Graphene and Graphene-BN Bilayers: Chemical Functionalization and Electronic Structure Engineering

Jinlong Yang, J. Hou, Zhenyu Li, 2011, 1112.4984.

Tuning Electronic Structure and Lattice Diffusion Barrier of Ternary Pt–In–Ni for Both Improved Activity and Stability Properties in Oxygen Reduction Electrocatalysis

Jinlong Yang, Xiaoqing Pan, Xiaochen Shen, 2019, ACS Catalysis.

The Moving-Grid Effect in the Harmonic Vibrational Frequency Calculations with Numeric Atom-Centered Orbitals.

Jinlong Yang, Honghui Shang, 2017, The journal of physical chemistry. A.

Multiarmed tubular selenium with potentially unique electrical properties: solution-phase synthesis and first-principles calculation.

Jinlong Yang, L. Fei, Yinjuan Xie, 2007, Small.

Electrical control of carriers' spin orientation in the FeVTiSi Heusler alloy†

Jinlong Yang, Xingxing Li, Jiahui Zhang, 2014, 1411.3426.

Structural Oscillation Revealed in Gold Nanoparticles.

Jinlong Yang, Zhikun Wu, Jinyun Yuan, 2020, Journal of the American Chemical Society.

Fcc versus Non-fcc Structural Isomerism of Gold Nanoparticles with Kernel Atom Packing Dependent Photoluminescence.

Jinlong Yang, Zhikun Wu, Chengming Wang, 2019, Angewandte Chemie.

Fcc versus Non‐fcc Structural Isomerism of Gold Nanoparticles with Kernel Atom Packing Dependent Photoluminescence

Jinlong Yang, Zhikun Wu, Chengming Wang, 2019, Angewandte Chemie.

Electronic Structure Engineering via On-Plane Chemical Functionalization: A Comparison Study on Two-Dimensional Polysilane and Graphane

Jinlong Yang, N. Lu, Zhenyu Li, 2009 .

Insights into the effect of substrate adsorption behavior over heme-like Fe1/AC single-atom catalyst

Jinlong Yang, Yujing Ren, Jie Gao, 2022, Nano Research.

Structural isomserism in gold nanoparticles revealed by X-ray crystallography

Jinlong Yang, R. Jin, Zhikun Wu, 2015, Nature Communications.

The Synthesis of Chiral Ag4Pd2(SR)8 by Nonreplaced Galvanic Reaction

Jinlong Yang, Zhikun Wu, Jinyun Yuan, 2019, Particle & Particle Systems Characterization.

Kernel Homology in Gold Nanoclusters

Jinlong Yang, Zhikun Wu, Chengming Wang, 2018, Angewandte Chemie.

Kernel Homology in Gold Nanoclusters.

Jinlong Yang, Zhikun Wu, Chengming Wang, 2018, Angewandte Chemie.

Hybrid density-functional study of SF5CF3

Jinlong Yang, J. Hou, Zhenyu Li, 2002 .

Communication: new insight into electronic shells of metal clusters: analogues of simple molecules.

Jinlong Yang, Longjiu Cheng, 2012, The Journal of chemical physics.

Two-Dimensional Semiconducting Metal Organic Frameworks with Auxetic Effect, Room Temperature Ferrimagnetism, Chiral Ferroelectricity, Bipolar Spin Polarization and Topological Nodal Lines/Points

Jinlong Yang, Wei Li, Xingxing Li, 2022, 2208.07024.

Mechanistic insights into CO2 conversion chemistry of copper bis-(terpyridine) molecular electrocatalyst using accessible operando spectrochemistry

Jinlong Yang, Yi Xie, Shan Gao, 2022, Nature Communications.

Superatom-atom super-bonding in metallic clusters: a new look to the mystery of an Au20 pyramid.

Jinlong Yang, Longjiu Cheng, Baokang Jin, 2014, Nanoscale.

A first-principles prediction of two-dimensional superconductivity in pristine B₂C single layers.

Jinlong Yang, J. Hou, Zhenyu Li, 2012, Nanoscale.

Hexagonal Cu2SnS3 with metallic character: Another category of conducting sulfides

Jinlong Yang, Yi Xie, Changzheng Wu, 2007 .

From VO2 (B) to VO2 (A) nanobelts: first hydrothermal transformation, spectroscopic study and first principles calculation.

Jinlong Yang, Yi Xie, Wensheng Yan, 2011, Physical chemistry chemical physics : PCCP.

New phase hollandite-type VOOH quadrangular nanorods: a new smart electrical switch material.

Jinlong Yang, Yi Xie, Changzheng Wu, 2010, Chemical Communications.

Spatial and thickness dependence of coupling interaction of surface states and influence on transport and optical properties of few-layer Bi2Se3

Jinlong Yang, Shi Chen, Jiuyu Sun, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

CO 2 dissociation activated through electron attachment on the reduced rutile TiO 2 (110)-1×1 surface

Jinlong Yang, Yi Luo, Jin Zhao, 2011, 1106.2625.

Single layer of MX₃ (M = Ti, Zr; X = S, Se, Te): a new platform for nano-electronics and optics.

Jinlong Yang, Xingxing Li, Yingdi Jin, 2015, Physical chemistry chemical physics : PCCP.

Direct confined-space combustion forming monoclinic vanadium dioxides.

Jinlong Yang, Yi Xie, Xiaodong Zhang, 2010, Angewandte Chemie.

Light-Induced Type-II Band Inversion and Quantum Anomalous Hall State in Monolayer FeSe.

Jinlong Yang, F. Liu, Feng Liu, 2018, Physical review letters.

Surface Landau levels and spin states in bismuth (111) ultrathin films

Jinlong Yang, B. Wang, Yi Luo, 2016, Nature Communications.

Formation energies of topological defects in carbon nanotubes

Jinlong Yang, B. Pan, W. Yang, 2000 .

Single-Atom-Kernelled Nanocluster Catalyst.

Jinlong Yang, Zhikun Wu, Jinyun Yuan, 2022, Nano letters.

Understanding Single-Atom Catalysis in View of Theory

Jinlong Yang, Wenhua Zhang, Li Sheng, 2021, JACS Au.

Graphdiyne as Hydrogen Purification Membrane

Jinlong Yang, Lan-feng Yuan, Wen-Hui Zhao, 2012 .

Double aromaticity in transition metal centered double-ring boron clusters M@B2n (M = Ti, Cr, Fe, Ni, Zn; n = 6, 7, 8).

Jinlong Yang, Longjiu Cheng, Chang Xu, 2014, The Journal of chemical physics.

Shape evolution of new-phased lepidocrocite VOOH from single-shelled to double-shelled hollow nanospheres on the basis of programmed reaction-temperature strategy.

Jinlong Yang, Yi Xie, Xiaodong Zhang, 2009, Inorganic chemistry.

Theoretical investigation of gold based model catalysts

Jinlong Yang, Wenhua Zhang, Weixin Huang, 2015, Science China Chemistry.

Band-gap engineering via tailored line defects in boron-nitride nanoribbons, sheets, and nanotubes.

Jinlong Yang, Xiuling Li, Xiaojun Wu, 2012, ACS nano.

Hydrogenated bilayer wurtzite SiC nanofilms: a two-dimensional bipolar magnetic semiconductor material.

Jinlong Yang, Zhenyu Li, Long Yuan, 2012, Physical chemistry chemical physics : PCCP.

Identifying configuration and orientation of adsorbed molecules by inelastic electron tunneling spectra.

Jinlong Yang, Yi Luo, Hao Ren, 2010, The Journal of chemical physics.

The electronic structure of oxygen atom vacancy and hydroxyl impurity defects on titanium dioxide (110) surface.

Jinlong Yang, B. Wang, H. Petek, 2009, The Journal of chemical physics.

Identifying Hydroxyls on the TiO2 (110)−1 × 1 Surface with Scanning Tunneling Microscopy

Jinlong Yang, J. Hou, B. Wang, 2009 .

First Principles Study on FeAs Single Layers

Jinlong Yang, Zhenyu Li, J. Dai, 2008, 0806.3865.

Obtaining two-dimensional electron gas in free space without resorting to electron doping: an electride based design.

Zhenyu Li, Jinlong Yang, Jinlong Yang, 2014, Journal of the American Chemical Society.

Obtaining Intrinsically Occupied Free-Space Superatom States in an Encapsulated Ca2N Nanotube

Jinlong Yang, Zhenyu Li, Ghulam Abbas, 2018, ACS omega.

Nearly free electron superatom states of carbon and boron nitride nanotubes.

Jinlong Yang, H. Petek, Jin Zhao, 2010, Nano letters.

Inorganic electride: theoretical study on structural and electronic properties.

Jinlong Yang, J. Hou, Zhenyu Li, 2003, Journal of the American Chemical Society.

Designing Two-Dimensional Versatile Room-Temperature Ferromagnets via Assembling Large-Scale Magnetic Quantum Dots.

Wei Hu, Zijing Ding, Jinlong Yang, 2021, Nano letters.

Toward Room-Temperature Magnetic Semiconductors in Two-Dimensional Ferrimagnetic Organometallic Lattices.

Jinlong Yang, Xingxing Li, 2019, The journal of physical chemistry letters.

A theoretical study of spin-polarized transport properties of planar four-coordinate Fe complexes

Jinlong Yang, Shangfeng Yang, H. Su, 2012 .

Pressure-induced organic topological nodal-line semimetal in the three-dimensional molecular crystal Pd(dddt)2

Jinlong Yang, F. Liu, Haidi Wang, 2018 .

Linear scaling calculation of band edge states and doped semiconductors.

Jinlong Yang, H. Xiang, J. Hou, 2006, The Journal of chemical physics.

Spin-unrestricted linear-scaling electronic structure theory and its application to magnetic carbon-doped boron nitride nanotubes.

Jinlong Yang, W. Liang, H. Xiang, 2005, The Journal of chemical physics.

Energy level realignment in weakly interacting donor-acceptor binary molecular networks.

Jinlong Yang, Jialin Zhang, Wei Chen, 2014, ACS nano.

Ultrathin Nanosheets: Giant Moisture Responsiveness of VS2 Ultrathin Nanosheets for Novel Touchless Positioning Interface (Adv. Mater. 15/2012)

Jinlong Yang, Yi Xie, Lele Peng, 2012 .

Driving Energies of Hydrogen Scrambling Motions in CH5+.

Jinlong Yang, S. Tian, 2007, The journal of physical chemistry. A.

Identifying atomic geometry and electronic structure of (2 x 3)-Sr/Si(100) surface and its initial oxidation.

Jinlong Yang, B. Wang, B. Pan, 2008, The Journal of chemical physics.

Silicene as a highly sensitive molecule sensor for NH3, NO and NO2.

Xiaojun Wu, Wei Hu, Nan Xia, 2014, Physical chemistry chemical physics : PCCP.

Oxygen molecule dissociation on carbon nanostructures with different types of nitrogen doping.

Jinlong Yang, Zhenyu Li, S. Ni, 2011, Nanoscale.

AlxC Monolayer Sheets: Two-Dimensional Networks with Planar Tetracoordinate Carbon and Potential Applications as Donor Materials in Solar Cell.

Xiaojun Wu, Jun Dai, Xiao Cheng Zeng, 2014, Journal of Physical Chemistry Letters.

Exploration of Structures of Two-Dimensional Boron-Silicon Compounds with sp(2) Silicon.

Xiaojun Wu, Jun Dai, Yu Zhao, 2013, The journal of physical chemistry letters.

Half-metallicity in MnPSe₃ exfoliated nanosheet with carrier doping.

Xiaojun Wu, Xingxing Li, Jinlong Yang, 2014, Journal of the American Chemical Society.

Bipolar magnetic semiconductors: a new class of spintronics materials.

Jinlong Yang, J. Hou, Xiaojun Wu, 2012, Nanoscale.

Porous silicene as a hydrogen purification membrane.

Xiaojun Wu, Wei Hu, Zhenyu Li, 2013, Physical chemistry chemical physics : PCCP.

Mn2C monolayer: a 2D antiferromagnetic metal with high Néel temperature and large spin-orbit coupling.

Xiaojun Wu, Lin Hu, Jinlong Yang, 2016, Nanoscale.

Room-temperature half-metallicity in La(Mn,Zn)AsO alloy via element substitutions.

Xiaojun Wu, Xingxing Li, Jinlong Yang, 2014, Journal of the American Chemical Society.

Half-Metallicity in One-Dimensional Metal Trihydride Molecular Nanowires.

Jinlong Yang, Xiuling Li, Liang Ma, 2017, Journal of the American Chemical Society.

Hydrogen adsorption on zigzag (8,0) boron nitride nanotubes.

Jinlong Yang, J. Hou, Xiaojun Wu, 2004, The Journal of chemical physics.

Deformation-induced site selectivity for hydrogen adsorption on boron nitride nanotubes

Jinlong Yang, J. Hou, Xiaojun Wu, 2004 .

Two-dimensional van der Waals heterojunctions for functional materials and devices

Wei Hu, Jinlong Yang, 2017 .

Electronic Structures of Hybrid Graphene/Phosphorene Nanocomposite

Wei Hu, Jinlong Yang, Tian Wang, 2014, 1411.1781.

Effects of interlayer coupling and electric fields on the electronic structures of graphene and MoS2 heterobilayers

Wei Hu, Jinlong Yang, Tian Wang, 2014, 1411.0357.

Unique interactions between diborane and pi orbitals: blue- or red-shifted hydrogen bonding?

Jinlong Yang, S. Tian, Haibei Li, 2008, The journal of physical chemistry. A.

Identification of metal-cage coupling in a single metallofullerene by inelastic electron tunneling spectroscopy

Jinlong Yang, Yi Luo, B. Gao, 2010 .

Single C59N molecule as a molecular rectifier.

Jinlong Yang, Jin Zhao, J. Hou, 2005, Physical review letters.

Theoretical and Comparative Analysis of Graphdiyne and Confined Flexible Nitrogen-Doped Graphdiyne-Supported Single-Atom Catalysts for Electrochemical Nitrogen Reduction

Jinlong Yang, Chang Xu, Q. Luo, 2022, The Journal of Physical Chemistry C.

The Journal of Physical Chemistry C Virtual Special Issue on “Energy and Catalysis in China”

Jinlong Yang, Jian-feng Li, Qiang Fu, 2022, The Journal of Physical Chemistry C.

Unveiling metal-cage hybrid states in a single endohedral metallofullerene.

Jinlong Yang, B. Wang, Shangfeng Yang, 2003, Physical review letters.

Monoanion BH4(-) can stabilize zwitterionic glycine with dihydrogen bonds.

Jinlong Yang, S. Tian, Haibei Li, 2009, ChemPhysChem.

Linear scaling calculation of maximally localized Wannier functions with atomic basis set.

Jinlong Yang, W. Liang, H. Xiang, 2006, The Journal of chemical physics.

Electron-phonon coupling in a boron-doped diamond superconductor

Jinlong Yang, H. Xiang, J. Hou, 2004, cond-mat/0406446.

Organometallic Hexahapto-Functionalized Graphene: Band Gap Engineering with Minute Distortion to the Planar Structure

Jinlong Yang, Xiaojun Wu, X. Zeng, 2013 .

One-dimensional transition metal-benzene sandwich polymers: possible ideal conductors for spin transport.

Jinlong Yang, H. Xiang, J. Hou, 2005, Journal of the American Chemical Society.

Bottom-up precise synthesis of stable platinum dimers on graphene

Wei Liu, Tao Yao, Junling Lu, 2017, Nature Communications.

Machine Learning K-Means Clustering Algorithm for Interpolative Separable Density Fitting to Accelerate Hybrid Functional Calculations with Numerical Atomic Orbitals.

Wei Hu, Jinlong Yang, Xinming Qin, 2020, The journal of physical chemistry. A.

Efficient spin filter based on FeN4 complexes between carbon nanotube electrodes

Jinlong Yang, Shangfeng Yang, Weiyi Wang, 2012, Nanotechnology.

Azide Passivation of Black Phosphorus Nanosheets: Covalent Functionalization Affords Ambient Stability Enhancement.

Jinlong Yang, Shangfeng Yang, Xianjun Zhu, 2018, Angewandte Chemie.

Quasi Pd1Ni single-atom surface alloy catalyst enables hydrogenation of nitriles to secondary amines

Jinlong Yang, Wei Liu, Junling Lu, 2019, Nature Communications.

Hidden Order and Haldane-Like Phase in Molecular Chains Assembled from Conformation-Switchable Molecules.

Jinlong Yang, B. Wang, A. Zhao, 2018, ACS nano.

On the electronic structures and electron affinities of the m-benzoquinone (BQ) diradical and the o-, p-BQ molecules: a synergetic photoelectron spectroscopic and theoretical study.

Jinlong Yang, Q. Fu, Xue‐Bin Wang, 2011, The journal of physical chemistry. A.

STM tip-assisted single molecule chemistry.

Jinlong Yang, B. Wang, J. Hou, 2013, Physical chemistry chemical physics : PCCP.

Direct hydrothermal synthesis of monoclinic VO2(M) single-domain nanorods on large scale displaying magnetocaloric effect

Jinlong Yang, Ziyu Wu, Yi Xie, 2011 .

An efficient nanocluster catalyst for Sonogashira reaction

Jinlong Yang, Zhikun Wu, S. Ye, 2021 .

Synthesis and Properties Evolution of a Family of Tiara-like Phenylethanethiolated Palladium Nanoclusters

Jinlong Yang, Zhikun Wu, Chengming Wang, 2015, Scientific Reports.

Revealing Charge‐ and Temperature‐Dependent Movement Dynamics and Mechanism of Individual Molecular Machines

Jinlong Yang, Ce Zhou, Xuefeng Guo, 2019, Small Methods.

Lattice mismatch induced nonlinear growth of graphene.

Jinlong Yang, Z. Hou, Wenhua Zhang, 2012, Journal of the American Chemical Society.

Theoretical study of small two-dimensional gold clusters

Jinlong Yang, Jin Zhao, J. Hou, 2003 .

Structural selection of graphene supramolecular assembly oriented by molecular conformation and alkyl chain

Qing Chen, Li-Jun Wan, Ting Chen, 2008, Proceedings of the National Academy of Sciences.

Assignment of photoelectron spectra of AuX2 (X=Cl, Br, and I) clusters

Jinlong Yang, Bing Dai, 2003 .

Quasi chiral phase separation in a two-dimensional orientationally disordered system: 6-nitrospiropyran on Au(111).

Jinlong Yang, B. Wang, J. Hou, 2007, Journal of the American Chemical Society.

Proposed photosynthesis method for producing hydrogen from dissociated water molecules using incident near-infrared light.

Jinlong Yang, Zhenyu Li, Xingxing Li, 2014, Physical review letters.

Unveiling the full reaction path of the Suzuki–Miyaura cross-coupling in a single-molecule junction

Jinlong Yang, Zhirong Liu, Xuefeng Guo, 2021, Nature Nanotechnology.

CO2 Capture on h-BN Sheet with High Selectivity Controlled by External Electric Field

Jinlong Yang, Xiaojun Wu, Wenhua Zhang, 2015 .

Three-Dimensional Covalently Linked Allotropic Structures of Phosphorus

Jinlong Yang, Xiaojun Wu, Zhiwen Zhuo, 2016 .

Precise Spin Manipulation of Single Molecule Positioning on Graphene by Coordination Chemistry.

Jinlong Yang, Zheng Wang, Xiaoguang Li, 2020, The journal of physical chemistry letters.

A Simple Molecular Design Strategy for Two-Dimensional Covalent Organic Framework capable of Visible-Light-Driven Water Splitting.

Jinlong Yang, Xiaojun Wu, Hangxun Xu, 2020, Journal of the American Chemical Society.

Tunable Magnetism in a Nonmetal-Substituted ZnO Monolayer: A First-Principles Study

Jinlong Yang, Xiaojun Wu, N. Lu, 2012 .

Platinum doped alkali earth metal oxides as a qubit candidate

Jinlong Yang, C. Zhou, Zhenyu Li, 2020 .

Systematic Synthesis of Tellurium Nanostructures and Their Optical Properties: From Nanoparticles to Nanorods, Nanowires, and Nanotubes

Wei Hu, Shu-Hong Yu, Jinlong Yang, 2016 .

Synthetic paramontroseite VO2 with good aqueous lithium-ion battery performance.

Wei Wang, Yi Xie, Changzheng Wu, 2008, Chemical communications.

Highly efficient photothermal effect by atomic-thickness confinement in two-dimensional ZrNCl nanosheets.

Jinlong Yang, Dianqi Li, Yi Xie, 2015, ACS nano.

SiN-SiC nanofilm: A nano-functional ceramic with bipolar magnetic semiconducting character

Jinlong Yang, Xingxing Li, Jiahui Zhang, 2014 .

Regulation of Coordination Number over Single Co Sites: Triggering the Efficient Electroreduction of CO2.

Jinlong Yang, Yadong Li, Yuen Wu, 2018, Angewandte Chemie.

Atomic-level construction of tensile strained PdFe alloy surface toward highly efficient oxygen reduction electrocatalysis.

Jinlong Yang, Guoxiong Wang, Chao Ma, 2020, Nano letters.

Spin switch in iron phthalocyanine on Au(111) surface by hydrogen adsorption.

Jinlong Yang, Xiaoguang Li, Yu Wang, 2017, The Journal of chemical physics.

Transport properties through diarylethene derivatives between carbon nanotube electrodes: A theoretical study

Jinlong Yang, H. Su, Jing Huang, 2009 .

Dynamic oxygen adsorption on single-atomic Ruthenium catalyst with high performance for acidic oxygen evolution reaction

Jinlong Yang, Wei Liu, Huijuan Wang, 2019, Nature Communications.

Atomically dispersed iron hydroxide anchored on Pt for preferential oxidation of CO in H2

Jinlong Yang, Bin Wang, Wei Liu, 2019, Nature.

Oxygen Vacancy-Controlled Reactivity of Hydroxyls on an FeO(111) Monolayer Film

Jinlong Yang, Wenhua Zhang, Yunsheng Ma, 2011 .

Shape-Dependent Reducibility of Cuprous Oxide Nanocrystals

Jinlong Yang, Wenhua Zhang, Yunsheng Ma, 2010 .

First-principles study of interaction between H2 molecules and BN nanotubes with BN divacancies.

Jinlong Yang, Shuanglin Hu, E. Kan, 2007, The Journal of chemical physics.

Two-Dimensional Phosphorus Porous Polymorphs with Tunable Band Gaps.

Jinlong Yang, Xiaojun Wu, Zhiwen Zhuo, 2016, Journal of the American Chemical Society.

First-principles study of MgB2 (0001) surfaces

Jinlong Yang, J. Hou, Zhenyu Li, 2001, cond-mat/0106590.

Reaction on a Rink: Kondo-Enhanced Heterogeneous Single-Atom Catalysis

Jinlong Yang, Xiangyang Li, Bingze Wang, 2021, The Journal of Physical Chemistry C.

Understanding the Kondo resonance in the d-CoPc/Au(111) adsorption system.

Jinlong Yang, Yu Wang, Xiaoying Zheng, 2014, The Journal of chemical physics.

Spontaneous chiral resolution in supramolecular assembly of 2,4,6-tris(2-pyridyl)-1,3,5-triazine on Au(111).

Jinlong Yang, J. Hou, B. Wang, 2009, Journal of the American Chemical Society.

Spin-Orbit Coupling in 2D Semiconductors: A Theoretical Perspective.

Wei Hu, Jinlong Yang, Kai-Hsin Wu, 2021, The journal of physical chemistry letters.

Crystal-plane-controlled surface restructuring and catalytic performance of oxide nanocrystals.

Huizhi Bao, Jinlong Yang, Jinlong Yang, 2011, Angewandte Chemie.

Coherent transport through spin-crossover magnet Fe2 complexes.

Jinlong Yang, Weiyi Wang, Jing Huang, 2016, Nanoscale.

Transport spin polarization of magnetic C28 molecular junctions

Jinlong Yang, Z. Guan, K. Xu, 2012 .

Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance.

Jinlong Yang, Shangfeng Yang, H. Su, 2012, The Journal of chemical physics.

Synthesis, growth mechanism, and work function at highly oriented {001} surfaces of bismuth sulfide microbelts

Jinlong Yang, Sunxi Wang, Yinjuan Xie, 2007 .

A computational infrared spectroscopic study of graphene oxide.

Jinlong Yang, Zhenyu Li, N. Lu, 2013, The Journal of chemical physics.

Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons.

Chao Yang, Lin Lin, Wei Hu, 2017, Journal of the American Chemical Society.

A first-principles study on quasi-1D alkali metal chains within zeolite channels.

Jinlong Yang, J. Hou, Zhenyu Li, 2004, The Journal of chemical physics.

Mechanism for negative differential resistance in molecular electronic devices: local orbital symmetry matching.

Jinlong Yang, B. Wang, J. Hou, 2007, Physical review letters.

Low‐dimensional half‐metallic materials: theoretical simulations and design

Jinlong Yang, Xingxing Li, 2017 .

Negative differential resistance devices by using N-doped graphene nanoribbons.

Jinlong Yang, Weiyi Wang, Jing Huang, 2014, The Journal of chemical physics.

Spin-polarized transport properties of Mn@Au6 cluster

Jinlong Yang, Shangfeng Yang, Jing Huang, 2013 .

Efficient organometallic spin filter based on Europium-cyclooctatetraene wire

Jinlong Yang, F. Boey, H. Su, 2009 .

Exploring at nanoscale from first principles

Jinlong Yang, Yi Luo, Q. Fu, 2009 .

Highly entangled K0.5V2O5 superlong nanobelt membranes for flexible nonvolatile memory devices

Jinlong Yang, Yi Xie, Lele Peng, 2012 .

Low Dimensional Nanomaterials for Spintronics

Jinlong Yang, H. Xiang, 2008 .

Electron affinities and electronic structures of o-, m-, and p-hydroxyphenoxyl radicals: a combined low-temperature photoelectron spectroscopic and Ab initio calculation study.

Jinlong Yang, Q. Fu, Xue‐Bin Wang, 2010, The journal of physical chemistry. A.

Effects of intramolecular hydrogen bonding on the ionization energies of proline.

Jinlong Yang, S. Tian, 2006, Angewandte Chemie.

Computational study of (e,2e) electron momentum spectroscopy and Penning ionization electron spectroscopy for molecular nitrogen

Jinlong Yang, S. Tian, L. F. Yuan, 1999 .

Identifying the Molecular Orientation and Clusters in Liquid-Vapor Interface of 1-Propanol by Time-Delayed Mass Spectrometry.

Jinlong Yang, Cen-Feng Fu, S. Tian, 2020, The journal of physical chemistry letters.

Giant Moisture Responsiveness of VS2 Ultrathin Nanosheets for Novel Touchless Positioning Interface

Jun Dai, Lele Peng, Yi Xie, 2012, Advanced materials.

A theoretical study of the linear OCuO species

Ke Deng, Qingshi Zhu, Jinlong Yang, 1999 .

Room temperature electrofreezing of water yields a missing dense ice phase in the phase diagram

Jinlong Yang, Jijun Zhao, Honghui Wu, 2019, Nature Communications.

Interplay between hydrogen bonding and electron solvation on hydrated TiO2(110)

Bin Li, Jin Zhao, Kenneth D. Jordan, 2006 .

Resonant dissociative electron attachments to cysteine and cystine.

Jinlong Yang, S. Tian, Yong-Feng Wang, 2011, Physical chemistry chemical physics : PCCP.

Thermal stabilities of the microhydrated zwitterionic glycine: a kinetics and dynamics study.

Jinlong Yang, Jinlong Yang, S. Tian, 2009, The journal of physical chemistry. A.

The adsorption of ethynyl on bimetallic AlCon0/− (n = 1–5) clusters: Density functional calculations

Jinlong Yang, Jinyun Yuan, Guowei Li, 2017 .

Room-Temperature Ferromagnetism in Two-Dimensional Fe2Si Nanosheet with Enhanced Spin-Polarization Ratio.

Jinlong Yang, Xiaojun Wu, Zhiwen Zhuo, 2017, Nano letters.

Creation of Dirac nodal line by extrinsic symmetry engineering.

Jinlong Yang, Yi Luo, B. Wang, 2020, Nano letters.

Two-dimensional bipolar magnetic semiconductors with high Curie-temperature and electrically controllable spin polarization realized in exfoliated Cr(pyrazine)2 monolayers

Jinlong Yang, Xiaojun Wu, Haifeng Lv, 2021, Science China Chemistry.

Surface alloy engineering in 2D trigonal lattice: giant Rashba spin splitting and two large topological gaps

Jinlong Yang, Yuchen Yang, Z. Wang, 2018 .

Defects in Phosphorene

Wei Hu, Jinlong Yang, Wei Hu, 2014, 1411.6986.

Electronic and magnetic structure of infinite-layer NdNiO2: trace of antiferromagnetic metal

Jinlong Yang, Z. Ren, W. Zhu, 2019, npj Quantum Materials.

The superatom states of fullerenes and their hybridization into the nearly free electron bands of fullerites.

Jinlong Yang, H. Petek, Jin Zhao, 2009, ACS nano.

Quantum Dot Based on Z-shaped Graphene Nanoribbon: First-principles Study

Qinwei Shi, Hao Ren, Jinlong Yang, 2007 .

Material Design for Photocatalytic Water Splitting from a Theoretical Perspective

Jinlong Yang, Cen-Feng Fu, Xiaojun Wu, 2018, Advanced materials.

Band-gap scaling of graphene nanohole superlattices

Wei Liu, Feng Liu, Jinlong Yang, 2009 .

Effects Due to Interadsorbate Interactions on the Dipeptide/TiO2 Surface Binding Mechanism Investigated by Molecular Dynamics Simulations

Jinlong Yang, S. Monti, Wenhua Zhang, 2007 .

In-Situ Generated High-Valent Iron Single-Atom Catalyst for Efficient Oxygen Evolution.

Jinlong Yang, Shiming Zhou, R. Si, 2021, Nano letters.

Atomically dispersed iron hydroxide anchored on Pt for preferential oxidation of CO in H2

Jinlong Yang, Wei Liu, Lina Cao, 2019, Nature.

Stable Metallic 1T‐WS2 Nanoribbons Intercalated with Ammonia Ions: The Correlation between Structure and Electrical/Optical Properties

P. Ajayan, Jinlong Yang, Xiuling Li, 2015, Advanced materials.

Single Mo1(Cr1) Atom on Nitrogen-Doped Graphene Enables Highly Selective Electroreduction of Nitrogen into Ammonia

Sean C. Smith, Jinlong Yang, Wenhua Zhang, 2019, ACS Catalysis.

Hydrogen-incorporated TiS2 ultrathin nanosheets with ultrahigh conductivity for stamp-transferrable electrodes.

Jinlong Yang, Yi Xie, Lele Peng, 2013, Journal of the American Chemical Society.

Two-dimensional multilayer M2CO2 (M = Sc, Zr, Hf) as photocatalysts for hydrogen production from water splitting: a first principles study

Jinlong Yang, Cen-Feng Fu, Xingxing Li, 2017 .

Nonequilibrium electronic transport of 4,4'-bipyridine molecular junction.

Jinlong Yang, Xiaojun Wu, Jing Huang, 2005, The Journal of chemical physics.

Electronic transport property of 4,4′-bipyridine molecular junction

Jinlong Yang, Xiaojun Wu, Jing Huang, 2005 .

Ion-molecule reactions catalyzed by a single gold atom†

Jinlong Yang, A. Ellis, Berlian Sitorus, 2020, Chemical science.

Bipolar magnetic materials for electrical manipulation of spin-polarization orientation.

Jinlong Yang, Xingxing Li, 2013, Physical chemistry chemical physics : PCCP.

Assembling and disassembling Ag clusters on Si(111)-(7×7) by vertical atomic manipulation.

Jinlong Yang, Xudong Xiao, Xieqiu Zhang, 2011, ACS nano.

Efficient method for fast simulation of scanning tunneling microscopy with a tip effect.

Jinlong Yang, Zhenpeng Hu, Ruiqi Zhang, 2014, The journal of physical chemistry. A.

On the shuttling mechanism of a chlorine atom in a chloroaluminum phthalocyanine based molecular switch.

Jinlong Yang, Cen-Feng Fu, Kai Wu, 2017, Physical chemistry chemical physics : PCCP.

Blockage of ultrafast and directional diffusion of Li atoms on phosphorene with intrinsic defects.

Jinlong Yang, Xiaojun Wu, Ruiqi Zhang, 2016, Nanoscale.

Modulating oxygen coverage of Ti3C2Tx MXenes to boost catalytic activity for HCOOH dehydrogenation

Jinlong Yang, S. Liang, Liangbing Wang, 2020, Nature Communications.

The stabilization of the rocksalt structured tantalum nitride

Jinlong Yang, Guo‐Jun Zhang, Haibin Zhang, 2017 .

STM studies of single molecules: molecular orbital aspects.

Jinlong Yang, J. Hou, Zhenyu Li, 2011, Chemical communications.

High-resolution scanning tunneling microscopy for molecules.

Jinlong Yang, J. Hou, Haiqian Wang, 2004, Ultramicroscopy.

Geometric and electronic properties of endohedral Si @ C74.

Jinlong Yang, Xiangyin Li, Yuzhen Liu, 2006, The Journal of chemical physics.

Boron K4 crystal: a stable chiral three-dimensional sp(2) network.

Jinlong Yang, Zhenyu Li, J. Dai, 2010, Physical chemistry chemical physics : PCCP.

High thermoelectric and reversible p-n-p conduction type switching integrated in dimetal chalcogenide.

Jie Zhang, Kun Li, Xinming Qin, 2012, Journal of the American Chemical Society.

Atomic-Level Insight into Optimizing the Hydrogen Evolution Pathway over a Co1 -N4 Single-Site Photocatalyst.

Tao Yao, Junling Lu, Yue Lin, 2017, Angewandte Chemie.

Intrinsic Electric Fields in Two-dimensional Materials Boost the Solar-to-Hydrogen Efficiency for Photocatalytic Water Splitting.

Wei Hu, Jinlong Yang, Cen-Feng Fu, 2018, Nano letters.

Conjugated Microporous Polymer Nanosheets for Overall Water Splitting Using Visible Light

Jinlong Yang, Xiaojun Wu, Y. Xiong, 2017, Advanced materials.

Enhanced photoelectrochemical performance of anatase TiO2 for water splitting via surface codoping

Jinlong Yang, Jiajun Wang, J. Meng, 2017 .

Single- and few-layer BiOI as promising photocatalysts for solar water splitting

Jinlong Yang, Jiajun Wang, J. Meng, 2017 .

Two-dimensional van der Waals nanocomposites as Z-scheme type photocatalysts for hydrogen production from overall water splitting

Jinlong Yang, Cen-Feng Fu, Xingxing Li, 2016 .

Anatase TiO2 codoping with sulfur and acceptor IIB metals for water splitting

Jinlong Yang, Jiajun Wang, Shao-hua Chen, 2016 .

The g-C3 N4 /C2 N Nanocomposite: A g-C3 N4 -Based Water-Splitting Photocatalyst with Enhanced Energy Efficiency.

Jinlong Yang, Huimin Wang, Xingxing Li, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

Double-hole codoped huge-gap semiconductor ZrO2 for visible-light photocatalysis.

Jinlong Yang, Jiajun Wang, J. Meng, 2016, Physical chemistry chemical physics : PCCP.

Single-layer cadmium chalcogenides: promising visible-light driven photocatalysts for water splitting.

Jinlong Yang, Jiajun Wang, J. Meng, 2016, Physical chemistry chemical physics : PCCP.

Enhanced photocatalytic mechanism for the hybrid g-C3N4/MoS2 nanocomposite

Jinlong Yang, Jiajun Wang, Z. Guan, 2014 .

Band structure engineering of anatase TiO2 by metal-assisted P-O coupling.

Jinlong Yang, Q. Meng, Jiajun Wang, 2014, The Journal of chemical physics.

Band Structure Tuning of TiO2 for Enhanced Photoelectrochemical Water Splitting

Jinlong Yang, Jiajun Wang, Haifeng Sun, 2014 .

Semihydrogenated BN Sheet: A Promising Visible-light Driven Photocatalyst for Water Splitting

Jin Zhao, Xingxing Li, Jinlong Yang, 2013, Scientific Reports.

Designing Direct Z-Scheme Heterojunctions Enabled by Edge-Modified Phosphorene Nanoribbons for Photocatalytic Overall Water Splitting.

Wei Hu, Jinlong Yang, Cen-Feng Fu, 2021, The journal of physical chemistry letters.

Efficient Direct Band Gap Photovoltaic Material Predicted Via Doping Double Perovskites Cs2AgBiX6 (X = Cl, Br)

Jinlong Yang, Zhenyu Li, Xinbo Ma, 2021 .

A rationally designed two-dimensional MoSe2/Ti2CO2 heterojunction for photocatalytic overall water splitting: simultaneously suppressing electron–hole recombination and photocorrosion†

Jinlong Yang, Cen-Feng Fu, Xingxing Li, 2021, Chemical science.

Improving the Activity of Electrocatalysts toward the Hydrogen Evolution Reaction, the Oxygen Evolution Reaction, and the Oxygen Reduction Reaction via Modification of Metal and Ligand of Conductive Two-Dimensional Metal-Organic Frameworks.

Jinlong Yang, Wenhua Zhang, Q. Luo, 2021, The journal of physical chemistry letters.

One-dimensional transition metal-benzene sandwich polymers: possible ideal conductors for spin transport.

Jinlong Yang, H. Xiang, J. Hou, 2005, Journal of the American Chemical Society.

Controlling the Kondo Effect of an Adsorbed Magnetic Ion Through Its Chemical Bonding

Jinlong Yang, H. Xiang, J. Hou, 2005, Science.

Doping dependence of electronic structure of infinite-layer NdNiO2

Jinlong Yang, W. Zhu, Z. Wang, 2020, 2008.09274.

Computational Design of One‐Dimensional Ferromagnetic Semiconductors in Transition Metal Embedded Stannaspherene Nanowires

Jinlong Yang, Xingxing Li, 2019, Chinese Journal of Chemistry.

Half-metallicity in organic single porous sheets.

Ruifeng Lu, Wei Hu, Kaiming Deng, 2012, Journal of the American Chemical Society.

Electronic structure of atomic Ti chains on semiconducting graphene nanoribbons: a first-principles study.

Jinlong Yang, H. Xiang, J. Hou, 2007, The Journal of chemical physics.

Average Density of States in Disordered Graphene Systems

Jinlong Yang, Q. Shi, Jie Chen, 2007, 0711.1018.

First-principles lattice dynamics of NaCo O 2

Jinlong Yang, J. Hou, Zhenyu Li, 2004, cond-mat/0402497.

Understanding the concept of randomness in inelastic electron tunneling excitations.

Jinlong Yang, Yi Luo, Q. Fu, 2010, Physical chemistry chemical physics : PCCP.

First-principles calculations of adsorption and dehydrogenation of trans-2-butene molecule on Pd(110) surface.

Jinlong Yang, Yi Luo, Q. Fu, 2009, Journal of Chemical Physics.

Linear scaling electronic structure calculations with numerical atomic basis set

Zhenyu Li, Honghui Shang, Hongjun Xiang, 2010 .

Quantum algorithms for electronic structures: basis sets and boundary conditions.

Jie Liu, Jinlong Yang, Zhenyu Li, 2022, Chemical Society reviews.

CrXTe3 (X = Si, Ge) nanosheets: two dimensional intrinsic ferromagnetic semiconductors

Jinlong Yang, Xingxing Li, 2014 .

Geometrical, electronic, and magnetic properties of Na 0.5 CoO 2 from first principles

Jinlong Yang, J. Hou, Zhenyu Li, 2004, cond-mat/0403727.

Strain effect on electronic structures of graphene nanoribbons: A first-principles study.

Hao Ren, Jinlong Yang, Jinlong Yang, 2008, The Journal of chemical physics.

A short review of nanographenes: structures, properties and applications

Jinlong Yang, Kai Ding, Yafei Dai, 2018 .

Chiral selective tunneling induced graphene nanoribbon switch

Jinlong Yang, Q. Shi, Qunxiang Li, 2009 .

Diffusion and desorption of oxygen atoms on graphene

Jinlong Yang, Zhenyu Li, Yafei Dai, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

Oxidation of a two-dimensional hexagonal boron nitride monolayer: a first-principles study.

Jinlong Yang, Xiaojun Wu, X. Zeng, 2012, Physical chemistry chemical physics : PCCP.

Spin-flip excitations induced by dehydrogenation in a magnetic single-molecule junction.

Jinlong Yang, Xiaoguang Li, Yu Wang, 2019, The Journal of chemical physics.

Electronic and magnetic properties of CoPc and FePc molecules on graphene: the substrate, defect, and hydrogen adsorption effects.

Jinlong Yang, Xiaoguang Li, Yu Wang, 2019, Physical chemistry chemical physics : PCCP.

Half-Metallicity in Hybrid Graphene/Boron Nitride Nanoribbons with Dihydrogenated Edges

Jinlong Yang, Xiaojun Wu, X. Zeng, 2011 .

Magnetism in Graphene Systems

Jinlong Yang, E. Kan, Zhenyu Li, 2008, 0807.1791.

Half-metallic ferromagnetism in transition-metal encapsulated boron nitride nanotubes

Jinlong Yang, H. Xiang, J. Hou, 2004, cond-mat/0409144.

Magnetic states of zigzag graphene nanoribbons from first principles

Jinlong Yang, H. Xiang, M. Whangbo, 2009 .

Electronic and optical properties of graphene and graphitic ZnO nanocomposite structures.

Wei Hu, Jinlong Yang, Zhenyu Li, 2013, The Journal of chemical physics.

Diamond as an inert substrate of graphene.

Wei Hu, Jinlong Yang, Zhenyu Li, 2013, The Journal of chemical physics.

Chiral selective tunneling induced negative differential resistance in zigzag graphene nanoribbon: A theoretical study

Jie Chen, Jinlong Yang, Jinlong Yang, 2008 .

Half-metallicity in hybrid BCN nanoribbons.

Jinlong Yang, X. Zeng, J. Hou, 2008, The Journal of chemical physics.

Graphene nanoribbon as a negative differential resistance device

Yi Luo, Hao Ren, Jinlong Yang, 2009 .

Electronic structures of SiC nanoribbons.

Jinlong Yang, J. Hou, Zhongfang Chen, 2008, The Journal of chemical physics.

Half-metallicity in edge-modified zigzag graphene nanoribbons.

Zhenyu Li, Jinlong Yang, Jinlong Yang, 2008, Journal of the American Chemical Society.

Electronic transport in Z-junction carbon nanotubes.

Jinlong Yang, Jintao Zhang, Q. Shi, 2004, The Journal of chemical physics.

Metal-Free Magnetism and Half-Metallicity of Carbon Nitride Nanotubes: A First-Principles Study

Jinlong Yang, Jiajun Wang, Xiaojun Wu, 2014 .

Ferrimagnetism in zigzag graphene nanoribbons induced by main-group adatoms

Jinlong Yang, H. Xiang, M. Whangbo, 2010 .

Highly efficient heterojunction solar cells enabled by edge-modified tellurene nanoribbons.

Wei Hu, Jinlong Yang, Yunzhi Gao, 2020, Physical chemistry chemical physics : PCCP.

Room-temperature magnetism and tunable energy gaps in edge-passivated zigzag graphene quantum dots

Chao Yang, Wei Hu, Xingxing Li, 2019, npj 2D Materials and Applications.

Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes.

Chao Yang, Wei Hu, Lin Lin, 2014, The Journal of chemical physics.

Half-Metallic Dirac Point in B-Edge Hydrogenated BN Nanoribbons

Jinlong Yang, H. Xiang, M. Whangbo, 2011 .

Graphene Nanoribbons: Geometric, Electronic, and Magnetic Properties

Jinlong Yang, Jinlong Yang, E. Kan, 2011 .

Nearly Free Electron State in Graphane Nanoribbon Superlattice

Jinlong Yang, J. Hou, Shuanglin Hu, 2010, 1011.3620.

First principles nuclear magnetic resonance signatures of graphene oxide.

Jinlong Yang, Zhenyu Li, N. Lu, 2010, The Journal of chemical physics.

Oxidation states of graphene: insights from computational spectroscopy.

Jinlong Yang, Wenhua Zhang, Zhenyu Li, 2009, The Journal of chemical physics.

A First Principles Study on the Dissociation and Rotation Processes of a Single O2 Molecule on the Pt(111) Surface

Jinlong Yang, Yi Luo, Q. Fu, 2011 .

KSSOLV-GPU: An efficient GPU-enabled MATLAB toolbox for solving the Kohn-Sham equations within density functional theory in plane-wave basis set

Wei Hu, Jinlong Yang, Xinming Qin, 2021, Chinese Journal of Chemical Physics.

An efficient implementation of spin-orbit coupling within the framework of semiempirical orthogonalization-corrected methods for ultrafast intersystem crossing dynamics.

Jie Liu, Jinlong Yang, Z. Lan, 2021, Physical chemistry chemical physics : PCCP.

High performance computing of DGDFT for tens of thousands of atoms using millions of cores on Sunway TaihuLight.

Jinlong Yang, Dexun Chen, Wei Hu, 2020, Science bulletin.

Interpolative Separable Density Fitting Decomposition for Accelerating Hartree-Fock Exchange Calculations Within Numerical Atomic Orbitals.

Wei Hu, Jie Liu, Jinlong Yang, 2020, The journal of physical chemistry. A.

The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package

Lei Xu, Baodong Wu, Jinlong Yang, 2020, Comput. Phys. Commun..

The static parallel distribution algorithms for hybrid density-functional calculations in HONPAS package

Wei Hu, Lei Xu, Shigang Li, 2019, Int. J. High Perform. Comput. Appl..

Implementation of screened hybrid density functional for periodic systems with numerical atomic orbitals: basis function fitting and integral screening.

Zhenyu Li, Honghui Shang, Jinlong Yang, 2011, The Journal of chemical physics.

Modified Morse potential for unification of the pair interactions.

Jinlong Yang, Longjiu Cheng, 2007, The Journal of chemical physics.

Simulating Periodic Systems on a Quantum Computer Using Molecular Orbitals.

Jie Liu, Jinlong Yang, Zhenyu Li, 2020, Journal of chemical theory and computation.

Reducing Circuit Depth in Adaptive Variational Quantum Algorithms via Effective Hamiltonian Theories.

Jie Liu, Jinlong Yang, Zhenyu Li, 2022, Journal of chemical theory and computation.

Equation-of-Motion Theory to Calculate Accurate Band Structures with a Quantum Computer.

Jie Liu, Jinlong Yang, Zhenyu Li, 2021, The journal of physical chemistry letters.

Equation-of-Motion Theory to Calculate Accurate Band Structures with a Quantum Computer.

Jie Liu, Jinlong Yang, Zhenyu Li, 2021, The journal of physical chemistry letters.

Protonation effects on electron transport through diblock molecular junctions: A theoretical study

Jinlong Yang, Zhenyu Li, Jing Huang, 2008 .

Switching mechanism of photochromic diarylethene derivatives molecular junctions.

Jinlong Yang, H. Su, Hao Ren, 2007, The Journal of chemical physics.

CHARGE AND SPIN ORDERING IN Na0.5CoO2 FROM THE HYBRID DENSITY FUNCTIONAL STUDY

Jinlong Yang, H. Xiang, Zhenyu Li, 2006 .

Adsorption and Surface Reactivity on Single-Walled Boron Nitride Nanotubes Containing Stone−Wales Defects

Jinlong Yang, Xiaojun Wu, W. An, 2007 .

Electronic Structures and Magnetic Properties of GaN Sheets and Nanoribbons

Jinlong Yang, Ziyu Wu, W. Chu, 2010 .

First-principles study of small-radius single-walled BN nanotubes

Jinlong Yang, H. Xiang, J. Hou, 2003 .

Unveiling the full reaction path of the Suzuki–Miyaura cross-coupling in a single-molecule junction

Jinlong Yang, Zhirong Liu, Xuefeng Guo, 2021, Nature Nanotechnology.

A Descriptor-Based Design Principle for Two-Dimensional Single-Atom Catalysts: Carbon Dioxide Electroreduction.

Jinlong Yang, Zhenyu Li, X. Zeng, 2020, The journal of physical chemistry letters.

Piezoelectricity in ZnO nanowires: A first-principles study

Jinlong Yang, H. Xiang, J. Hou, 2006 .

Structure of Graphene Oxide: Thermodynamics versus Kinetics

Jinlong Yang, Jinlong Yang, N. Lu, 2011, 1102.3797.

Nonnuclear nearly free electron conduction channels induced by doping charge in nanotube-molecular sheet composites.

Jinlong Yang, H. Petek, Jin Zhao, 2014, The journal of physical chemistry. A.

A First-Principles Investigation of the Carrier Doping Effect on the Magnetic Properties of Defective Graphene

Jinlong Yang, Shulai Lei, Jing Huang, 2013 .

Carrier-tunable magnetism of graphene with single-atom vacancy

Jinlong Yang, Shulai Lei, E. Kan, 2013 .

Promoting Water Activation by Photogenerated Holes in Monolayer C2N.

Jinlong Yang, Cen-Feng Fu, P. Gao, 2022, The journal of physical chemistry letters.

Controlling the Valence-Electron Arrangement of Nickel Active Centers for Efficient Hydrogen Oxidation Electrocatalysis.

Jinlong Yang, Lirong Zheng, Deli Wang, 2022, Angewandte Chemie.

Density functional study on mechanism of CO oxidation with activated water on O/Au (111) surface

Jinlong Yang, Yi Luo, Wenhua Zhang, 2009 .

Unconventional p-d Hybridization Interaction in PtGa Ultrathin Nanowires Boosts Oxygen Reduction Electrocatalysis.

Jinlong Yang, A. Pan, Chao Ma, 2019, Journal of the American Chemical Society.

Achieving Remarkable Activity and Durability toward Oxygen Reduction Reaction Based on Ultrathin Rh-Doped Pt Nanowires.

Chao Ma, Kan Li, Hongwen Huang, 2017, Journal of the American Chemical Society.

2D Heterostructured Nanofluidic Channels for Enhanced Desalination Performance of Graphene Oxide Membranes.

Jinlong Yang, Cen-Feng Fu, T. Xu, 2021, ACS nano.

Direct writing of electronic devices on graphene oxide by catalytic scanning probe lithography

Jinlong Yang, Q. Fu, J. Hou, 2012, Nature Communications.

One-Nanometer-Thick PtNiRh Trimetallic Nanowires with Enhanced Oxygen Reduction Electrocatalysis in Acid Media: Integrating Multiple Advantages into One Catalyst.

Jinlong Yang, Chao Ma, R. Si, 2018, Journal of the American Chemical Society.

Nitrogen-inserted nickel nanosheets with controlled orbital hybridization and strain fields for boosted hydrogen oxidation in alkaline electrolytes

Jinlong Yang, Kevin Iputera, Deli Wang, 2022, Energy & Environmental Science.

Atomic-level insights into strain effect on p-nitrophenol reduction via Au@Pd core–shell nanocubes as an ideal platform

Jinlong Yang, Yi Cui, Jie Zeng, 2020 .

A first-principles potential energy surface and vibrational states for hydrogen on Cu(100).

Jinlong Yang, Dong H. Zhang, D. Xie, 2004, The Journal of chemical physics.

Active hydrogen species on TiO2 for photocatalytic H2 production.

Jinlong Yang, Wenhua Zhang, Weixin Huang, 2014, Physical chemistry chemical physics : PCCP.

Single-molecule chemistry of metal phthalocyanine on noble metal surfaces.

Jinlong Yang, J. Hou, Zhenyu Li, 2010, Accounts of Chemical Research.

Icosahedral B12-containing core-shell structures of B80.

Jinlong Yang, X. Zeng, N. Shao, 2010, Chemical communications.

Scanning tunneling microscopy and density functional theory combined studies of rutile TiO2(1 1 0) surface chemistry: Watch surface processes at the atomic scale

Jinlong Yang, B. Wang, Wenhua Zhang, 2013 .

Few-Layer C2N: A Promising Metal-free Photocatalyst for Water Splitting

Jinlong Yang, Ruiqi Zhang, 2015, 1505.02768.

A high performance catalyst for methane conversion to methanol: graphene supported single atom Co.

Jinlong Yang, Wenhua Zhang, Jinyun Yuan, 2018, Chemical communications.

First-principles Study of Adsorption and Dissociation of Methanol on the Pt(100) Surface

Jinlong Yang, E. Kan, Zhuo Wang, 2012 .

Single-molecule field effect and conductance switching driven by electric field and proton transfer

Jinlong Yang, Rongming Wang, Long Chen, 2022, Science advances.

Electronic and Magnetic Properties of Metal Phthalocyanines on Au(111) Surface: A First-Principles Study

Jinlong Yang, J. Hou, Zhenpeng Hu, 2008 .

A Theoretical Study of Single-Atom Catalysis of CO Oxidation Using Au Embedded 2D h-BN Monolayer: A CO-Promoted O2 Activation

Jinlong Yang, Xiaojun Wu, Wenhua Zhang, 2014, Scientific Reports.

Single Pd atom and Pd dimer embedded graphene catalyzed formic acid dehydrogenation: A first-principles study

Jinlong Yang, Cen-Feng Fu, Wenhua Zhang, 2018 .

A first-principles study of the thermodynamic and electronic properties of Mg and MgH2 nanowires.

Jinlong Yang, Ruiqi Zhang, Xin-xing Wu, 2016, Physical chemistry chemical physics : PCCP.

Observation of photocatalytic dissociation of water on terminal Ti sites of TiO2(110)-1 × 1 surface.

Jinlong Yang, Yi Luo, Jin Zhao, 2012, Journal of the American Chemical Society.

Two-Dimensional Giant Tunable Rashba Semiconductors with Two-Atom-Thick Buckled Honeycomb Structure.

Wei Hu, Jinlong Yang, Kai-Hsin Wu, 2020, Nano letters.

Highly-efficient heterojunction solar cells based on two-dimensional tellurene and transition metal dichalcogenides

Wei Hu, Jinlong Yang, Yunzhi Gao, 2019, Journal of Materials Chemistry A.

First-principles study of two-dimensional van der Waals heterojunctions

Wei Hu, Jinlong Yang, 2015, 1504.06275.

A first-principles study of gas adsorption on germanene.

Wei Hu, Jinlong Yang, Zhenyu Li, 2014, Physical chemistry chemical physics : PCCP.

Ultrahigh Infrared Photoresponse from Core–Shell Single‐Domain‐VO2/V2O5 Heterostructure in Nanobeam

Jinlong Yang, Yi Xie, Changzheng Wu, 2014 .

Molecular oxygen adsorption behaviors on the rutile TiO2(110)-1×1 surface: an in situ study with low-temperature scanning tunneling microscopy.

Jinlong Yang, B. Wang, J. Hou, 2011, Journal of the American Chemical Society.

Determining structural and chemical heterogeneities of surface species at the single-bond limit

Jinlong Yang, Yi Luo, J. Hou, 2021, Science.

Sub-nanometre resolution in single-molecule photoluminescence imaging

Javier Aizpurua, Vahid Sandoghdar, Yi Luo, 2020, Nature Photonics.

Distinguishing adjacent molecules on a surface using plasmon-enhanced Raman scattering.

Rui Zhang, Yi Luo, Zhenchao Dong, 2015, Nature nanotechnology.

Generation of molecular hot electroluminescence by resonant nanocavity plasmons

Rui Zhang, Yi Luo, Zhenchao Dong, 2010 .

Density-Functional Theory Studies of Step-Kinked Carbon Nanotubes

Jinlong Yang, Xiaojun Wu, X. Zeng, 2011 .

Thickness Dependent Magnetic Transition in Few Layer 1T Phase CrTe2.

Jinlong Yang, P. Gao, Xingxing Li, 2021, The journal of physical chemistry letters.

Schottky and Ohmic Contacts at α-Tellurene/2D Metal Interfaces

Jinlong Yang, Zhenyu Li, Hao Yuan, 2022, ACS Applied Electronic Materials.

Two-dimensional silicon crystals with sizable band gaps and ultrahigh carrier mobility.

Jinlong Yang, Xiaojun Wu, Zhiwen Zhuo, 2018, Nanoscale.

Water on silicene: A hydrogen bond-autocatalyzed physisorption–chemisorption–dissociation transition

Wei Hu, Jinlong Yang, Zhenyu Li, 2017, Nano Research.

Direct bandgap engineering with local biaxial strain in few-layer MoS2 bubbles

Jinlong Yang, C. Gu, Junjie Li, 2020, Nano Research.

Photogenerated-Carrier Separation and Transfer in Two-Dimensional Janus Transition Metal Dichalcogenides and Graphene van der Waals Sandwich Heterojunction Photovoltaic Cells.

Wei Hu, Jinlong Yang, P. Gao, 2020, The journal of physical chemistry letters.

Highly selective adsorption of methanol in carbon nanotubes immersed in methanol-water solution.

Jinlong Yang, X. Zeng, B. Shang, 2012, The Journal of chemical physics.

More accurate depiction of adsorption energy on transition metals using work function as one additional descriptor.

Jinlong Yang, Bin Liu, Xiaochen Shen, 2017, Physical chemistry chemical physics : PCCP.

Ordered Semiconducting Nitrogen-Graphene Alloys

Xingao Gong, Su-Huai Wei, Bing Huang, 2011, 1105.3540.

Single quintuple bond [PhCrCrPh] molecule as a possible molecular switch.

Jinlong Yang, H. Su, Hao Ren, 2006, The Journal of chemical physics.

Ambient rutile VO2(R) hollow hierarchitectures with rich grain boundaries from new-state nsutite-type VO2, displaying enhanced hydrogen adsorption behavior.

Jinlong Yang, Yi Xie, Changzheng Wu, 2012, Physical chemistry chemical physics : PCCP.

Control of highly anisotropic electrical conductance of tellurene by strain-engineering.

Wei Hu, Jinlong Yang, Huanhuan Ma, 2019, Nanoscale.

Tunable Rashba Spin Splitting in Two-Dimensional Polar Perovskites.

Wei Hu, Jinlong Yang, Kai-Hsin Wu, 2021, Journal of Physical Chemistry Letters.

Raman Detection of Bond Breaking and Making of a Chemisorbed Up-Standing Single Molecule at Single-Bond Level.

Jinlong Yang, Yi Luo, Yang Zhang, 2021, The journal of physical chemistry letters.

Electrically driven single-photon emission from an isolated single molecule

Jinlong Yang, Yi Luo, Yang Zhang, 2017, Nature Communications.

Reversible transition between thermodynamically stable phases with low density of oxygen vacancies on the SrTiO3(110) surface.

Jinlong Yang, Jiandong Guo, Q. Guo, 2011, Physical review letters.

First-principles calculations of the electronic and magnetic properties of Cs 2 Ag F 4

Jinlong Yang, J. Hou, E. Kan, 2007 .

Surface and size effects on the charge state of NV center in nanodiamonds

Wei Hu, Jinlong Yang, Zhenyu Li, 2013 .

Nondecaying long range effect of surface decoration on the charge state of NV center in diamond.

Wei Hu, Jinlong Yang, J. Hou, 2013, The Journal of chemical physics.

Molecular-Level Insight into How Hydroxyl Groups Boost Catalytic Activity in CO2 Hydrogenation into Methanol

Jinlong Yang, Wensheng Yan, Jie Zeng, 2018 .

Design and control of electron transport properties of single molecules

Jinlong Yang, B. Wang, Yi Luo, 2009, Proceedings of the National Academy of Sciences.

Effects of stacking order, layer number and external electric field on electronic structures of few-layer C2N-h2D.

Jinlong Yang, Ruiqi Zhang, Bin Li, 2015, Nanoscale.

POLARIZABILITY AND SHIELDING OF COAXIAL HYBRID DOUBLE-WALLED NANOTUBES: A FIRST-PRINCIPLES STUDY

Jinlong Yang, H. Su, Q. Shi, 2008 .

Electronic structures of organic molecule encapsulated BN nanotubes under transverse electric field.

Jinlong Yang, J. Hou, Zhenyu Li, 2008, The Journal of chemical physics.

A first principles study on organic molecule encapsulated boron nitride nanotubes.

Jinlong Yang, J. Hou, Zhenyu Li, 2008, The Journal of chemical physics.

Realizing Effective Cubic-Scaling Coulomb Hole Plus Screened Exchange Approximation in Periodic Systems via Interpolative Separable Density Fitting with a Plane-Wave Basis Set.

Chao Yang, Wei Hu, Jie Liu, 2021, The journal of physical chemistry. A.

Are fluorinated boron nitride nanotubes n-type semiconductors?

Jinlong Yang, H. Xiang, J. Hou, 2005, cond-mat/0511217.

Why the Band Gap of Graphene Is Tunable on Hexagonal Boron Nitride

Jinlong Yang, Zhenyu Li, R. Lu, 2012 .

Detecting a Molecule-Surface Hybrid State by an Fe-Coated Tip with a Non-s-Like Orbital

Jinlong Yang, B. Wang, J. Hou, 2008 .

Low-temperature orientationally ordered structures of two-dimensional C60.

Jinlong Yang, B. Wang, J. Hou, 2003, Journal of the American Chemical Society.

Orientational configurations of the C 60 molecules in the (2×2) superlattice on a solid C 60 (111) surface at low temperature

Jinlong Yang, B. Wang, J. Hou, 2001 .

Electronic structures of defective boron nitride nanotubes under transverse electric fields

Jinlong Yang, Zhenyu Li, Shuanglin Hu, 2008 .

A First-Principles Study on Electron Donor and Acceptor Molecules Adsorbed on Phosphorene

Bin Li, Jinlong Yang, Jinlong Yang, 2015 .

Tunable n-type and p-type doping of two-dimensional layered PdSe2via organic molecular adsorption.

Wei Hu, Jinlong Yang, Yunzhi Gao, 2020, Physical chemistry chemical physics : PCCP.

Role of Surface Stress on the Reactivity of Anatase TiO2(001).

Jinlong Yang, K. Ho, Caizhuang Wang, 2017, The journal of physical chemistry letters.

A First-Principles Study on the Structural and Electronic Properties of C36Molecules

Jinlong Yang, Qing-shi Zhu, Lan-feng Yuan, 2000 .

Mechanism for tautomerization induced conductance switching of naphthalocyanin molecule

Jinlong Yang, Q. Fu, Yi Luo, 2009 .

Negative differential-resistance device involving two C60 molecules

Jinlong Yang, B. Wang, J. Hou, 2000 .

Visualizing coherent intermolecular dipole–dipole coupling in real space

Li Zhang, Jin-Long Yang, Jinlong Yang, 2016, Nature.

What can a scanning tunneling microscope image do for the insulating alkanethiol molecules on Au(111) substrates

Jinlong Yang, J. Hou, C. Zeng, 2002 .

"Narrow" graphene nanoribbons made easier by partial hydrogenation.

Su-Huai Wei, Myung-Hwan Whangbo, Hongjun Xiang, 2009, Nano letters.

Carbon dimers as the dominant feeding species in epitaxial growth and morphological phase transition of graphene on different Cu substrates.

Ping Cui, Zhenyu Li, Jinlong Yang, 2015, Physical review letters.

Construction of direct Z‐Scheme photocatalysts for overall water splitting using two‐dimensional van der waals heterojunctions of metal dichalcogenides

Ruiqi Zhang, Xingxing Li, Cen-Feng Fu, 2018, J. Comput. Chem..

Detecting surface resonance states of Si ( 111 ) − 3 × 3 − Ag with a scanning tunneling microscope

Jinlong Yang, H. Xiang, J. Hou, 2004 .

Conformational flexibility and its effect on the vibrationally resolved absorption and fluorescence spectra of oligofluorenes

Jinlong Yang, Yi Zhao, W. Liang, 2006 .

Electronic excitation of polyfluorenes: a theoretical study.

Jinlong Yang, Yi Zhao, W. Liang, 2006, The journal of physical chemistry. B.

Electronic and piezoelectric properties of BN nanotubes from hybrid density functional method

Jinlong Yang, H. Xiang, Z. Y. Chen, 2005, cond-mat/0510412.

A first-principles study of ZnO polar surface growth: adsorption of Zn(x)O(y) clusters.

Jinlong Yang, Zhenyu Li, Nan Pan, 2013, The Journal of chemical physics.

Water Confined in Nanocapillaries: Two-Dimensional Bilayer Squarelike Ice and Associated Solid-Liquid-Solid Transition

Jinlong Yang, Heng-An Wu, X. Zeng, 2018 .

Two-dimensional interlocked pentagonal bilayer ice: how do water molecules form a hydrogen bonding network?

Jinlong Yang, X. Zeng, Weiduo Zhu, 2016, Physical chemistry chemical physics : PCCP.

Highly confined water: two-dimensional ice, amorphous ice, and clathrate hydrates.

Jinlong Yang, X. Zeng, J. Bai, 2014, Accounts of chemical research.

Ferroelectric hexagonal and rhombic monolayer ice phases

Jinlong Yang, X. Zeng, J. Bai, 2014 .

Two-dimensional transitional metal dihydride crystals with anisotropic and spin-polarized Fermi Dirac cones

Jinlong Yang, Xiuling Li, Xiaojun Wu, 2018 .

Quantum molecular dynamics study of water on TiO2(110) surface.

Jinlong Yang, Yi Luo, S. Monti, 2008, The Journal of chemical physics.

Na‐Mn‐O Nanocrystals as a High Capacity and Long Life Anode Material for Li‐Ion Batteries

Ibrahim Saana Amiinu, Wei Zhang, Jinlong Yang, 2017 .

Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory

Yunquan Zhang, Jinlong Yang, Honghui Shang, 2020, Comput. Phys. Commun..

Increasing the Efficiency of Photocatalytic Water Splitting via Introducing Intermediate Bands.

Jinlong Yang, Zhenyu Li, Xinbo Ma, 2023, The journal of physical chemistry letters.

Low-Rank Approximations Accelerated Plane-Wave Hybrid Functional Calculations with k-Point Sampling.

Wei Hu, Jinlong Yang, Xinming Qin, 2021, Journal of chemical theory and computation.

Boosting ionic conductivity in antiperovskite Li3OCl via defect engineering: Interstitial versus vacancy

Jinlong Yang, P. Cui, Zhenyu Li, 2019 .

Ion Conductivity Enhancement in Anti‐Spinel Li3OBr with Intrinsic Vacancies

Jinlong Yang, Zhenyu Li, F. Hussain, 2018, Advanced Theory and Simulations.

A theoretical study of the Y4O cluster

Jinlong Yang, K. Deng, Bing Dai, 2002 .

Assignment of photoelectron spectra of AunO2- (n=2,4,6) clusters.

Jinlong Yang, J. Hou, Xunlei Ding, 2004, The Journal of chemical physics.

A theoretical study of the Y$\mathsf{_{3}}$O clusters

Jinlong Yang, Xunlei Ding, Bing Dai, 2004 .

Defects-enhanced dissociation of H2 on boron nitride nanotubes.

Jinlong Yang, J. Hou, Xiaojun Wu, 2006, The Journal of chemical physics.

Enhanced Curie Temperature of Two-Dimensional Cr(II) Aromatic Heterocyclic Metal-Organic Framework Magnets via Strengthened Orbital Hybridization.

Jinlong Yang, Xiaojun Wu, Haifeng Lv, 2022, Nano letters.

Orbital Design of Two-Dimensional Transition-Metal Peroxide Kagome Crystals with Anionogenic Dirac Half-Metallicity.

Jinlong Yang, Xiaojun Wu, Haifeng Lv, 2021, The journal of physical chemistry letters.

Bipolar Magnetic Molecules for Spin-Polarized Electric Current in Molecular Junctions.

Jinlong Yang, Xingxing Li, Yu-jie Hu, 2022, Angewandte Chemie.

Highly interface-dependent spin transport in an Fe-Mn(DBTAA)-Fe single molecule spintronic device.

Jinlong Yang, Xingxing Li, Cuiju Yu, 2022, Nanoscale.

Low-cost alternatives to the Bethe-Salpeter equation: Towards simple hybrid functionals for excitonic effects in solids

Jinlong Yang, C. Ullrich, Jiuyu Sun, 2020 .

Piezoelectricity in ZnO nanowires: A first-principles study

Jinlong Yang, H. Xiang, J. Hou, 2005, cond-mat/0511473.

Formation of bilayer clathrate hydrates

Jinlong Yang, J. S. Francisco, X. Zeng, 2015 .

Calculated polarizabilities of small Si clusters

Che Ting Chan, Jinlong Yang, Jinlong Yang, 2000 .

Assessment of the Mass Factor for the Electron–Phonon Coupling in Solids

Jinlong Yang, Jin Zhao, Honghui Shang, 2021 .

Simulating Periodic Systems on a Quantum Computer Using Molecular Orbitals.

Jie Liu, Jinlong Yang, Zhenyu Li, 2020, Journal of chemical theory and computation.

Environmentally friendly gamma-MnO2 hexagon-based nanoarchitectures: structural understanding and their energy-saving applications.

Jinlong Yang, Yi Xie, Wei Xie, 2009, Chemistry.

Interconvertible side-on- and end-on-bonded oxo-superoxo titanium ozonide complexes.

Jinlong Yang, S. Tian, Mingfei Zhou, 2007, The journal of physical chemistry. A.

Pair-hopping characteristic of lithium diffusive motion in Li-doped beta-phase manganese phthalocyanine.

Jinlong Yang, H. Su, Qunxiang Li, 2007, The journal of physical chemistry. B.

Rational Design of Cathode Structure for High Rate Performance Lithium-Sulfur Batteries.

Changhong Wang, Jinlong Yang, W. Lu, 2015, Nano letters.

Diamondization of chemically functionalized graphene and graphene-BN bilayers.

Jinlong Yang, J. Hou, Zhenyu Li, 2012, Physical chemistry chemical physics : PCCP.

Interfacial hydrogen-bonding dynamics in surface-facilitated dehydrogenation of water on TiO2(110).

Jinlong Yang, Yi Luo, Jin Zhao, 2019, Journal of the American Chemical Society.

Helium separation via porous silicene based ultimate membrane.

Wei Hu, Jinlong Yang, Xiaojun Wu, 2013, Nanoscale.

Structure dependent quantum confinement effect in hydrogen-terminated nanodiamond clusters

Jinlong Yang, Ziyu Wu, Yi Luo, 2010 .

Role of point defects on the reactivity of reconstructed anatase titanium dioxide (001) surface

Yang Wang, Jin Zhao, Bing Wang, 2013, Nature Communications.

Dominant Kinetic Pathways of Graphene Growth in Chemical Vapor Deposition: The Role of Hydrogen

Jinlong Yang, Zhenyu Li, Pai Li, 2017, 1711.02244.

Direct Z-Scheme Water Splitting Photocatalyst Based on Two-Dimensional Van Der Waals Heterostructures.

Jinlong Yang, Jin Zhao, P. Gao, 2018, The journal of physical chemistry letters.

Theoretical design of two-dimensional visible light-driven photocatalysts for overall water splitting

Jinlong Yang, Cen-Feng Fu, Xiaojun Wu, 2022, Chemical Physics Reviews.

Transition metal atom embedded graphene for capturing CO: A first-principles study

Jinlong Yang, Lei Wang, Wenhua Zhang, 2014 .

Nano-scale displacement sensing based on van der Waals interactions.

Jinlong Yang, Jin Zhao, Lin Hu, 2014, Nanoscale.

Two-dimensional Ca4N2 as a one-dimensional electride [Ca4N2]2+·2e- with ultrahigh conductance.

Wei Hu, Jie Liu, Zijing Ding, 2020, Nanoscale.

A theoretical study of the TiC5 cluster.

Jinlong Yang, Yuzhen Liu, K. Deng, 2008, The Journal of chemical physics.

A theoretical study on the excited states of MC3 (M = Sc, V, and Cr)

Jinlong Yang, Yuzhen Liu, K. Deng, 2006 .

A many-body GW + BSE investigation of electronic and optical properties of C2N

Jinlong Yang, Jiuyu Sun, Xingxing Li, 2016, 1602.03987.

THEORETICAL STUDY ON INFRARED VIBRATIONAL SPECTRA OF BORIC-ACID IN GAS-PHASE USING DENSITY FUNCTIONAL METHODS

Ming-Bao Huang, Jinlong Yang, Jinlong Yang, 1999 .

Isolated Pd atom anchoring endows cobalt diselenides with regulated water-reduction kinetics for alkaline hydrogen evolution

Jinlong Yang, Dongdong Xiao, Deli Wang, 2021 .

Tuning Charge Transport in Aromatic-Ring Single-Molecule Junctions via Ionic-Liquid Gating.

Jinlong Yang, Guangyu Zhang, Shuopei Wang, 2018, Angewandte Chemie.

Tuning Charge Transport in Aromatic-Ring Single-Molecule Junctions via Ionic-Liquid Gating

Jinlong Yang, Shuopei Wang, Chuancheng Jia, 2018, Angewandte Chemie.

Electrically Driven Single-Photon Superradiance from Molecular Chains in a Plasmonic Nanocavity.

Jinlong Yang, Yi Luo, Yang Zhang, 2019, Physical Review Letters.

Transport properties of a three-shell icosahedral matryoshka cluster: a first-principles study

Jinlong Yang, Jing Huang, W. Wang, 2017 .

Electron-induced ferromagnetic ordering of Co-doped ZnO

Jinlong Yang, E. Kan, Lan-feng Yuan, 2007 .

High-Pressure Phase Favored by a Symmetry-Recognized Nanoconfinement Effect.

Zhenyu Li, Shengnan Wang, Di Yin, 2012, The journal of physical chemistry letters.

Erratum: Structural isomerism in gold nanoparticles revealed by X-ray crystallography

Jinlong Yang, R. Jin, Zhikun Wu, 2015, Nature Communications.

Atomistic Simulations of Graphene Growth: From Kinetics to Mechanism.

Jinlong Yang, Zhenyu Li, Zongyang Qiu, 2018, Accounts of chemical research.

Lattice mismatch induced nonlinear growth of graphene.

Jinlong Yang, Z. Hou, Wenhua Zhang, 2011, Journal of the American Chemical Society.

Capturing the Electron-Phonon Renormalization in Molecules from First-Principles.

Jinlong Yang, Honghui Shang, 2021, The journal of physical chemistry. A.

Direct observation of single-molecule hydrogen-bond dynamics with single-bond resolution

Jinlong Yang, Ce Zhou, Chuancheng Jia, 2018, Nature Communications.

Inorganic electrides.

Jinlong Yang, J. Hou, Zhenyu Li, 2004, Chemistry.

Intrinsic Quantum Anomalous Hall Effect with In-Plane Magnetization: Searching Rule and Material Prediction.

Feng Liu, Zhao Liu, Jinlong Yang, 2018, Physical review letters.

A single-molecule electrical approach for amino acid detection and chirality recognition

Jinlong Yang, Xuefeng Guo, J. Terao, 2021, Science Advances.

A cycloparaphenylene nanoring with graphenic hexabenzocoronene sidewalls.

Jinlong Yang, Shangfeng Yang, Pingwu Du, 2016, Chemical communications.

Oxygen adsorption on Zr(0001) surfaces : Density functional calculations and a multiple-layer adsorption model

Jinlong Yang, Zhenyu Li, J. Shang, 2008 .

Electronic structure engineering in chemically modified ultrathin ZnO nanofilms via a built-in heterointerface

Jinlong Yang, Xiaojun Wu, N. Lu, 2014 .

Single Mo1(W1, Re1) atoms anchored in pyrrolic-N3 doped graphene as efficient electrocatalysts for the nitrogen reduction reaction

Jinlong Yang, Lanlan Chen, Wenhua Zhang, 2021 .

Structural, electrical, and photoconductive properties of individual single-crystalline tellurium nanotubes synthesized by a chemical route: doping effects on electrical structure.

Jinlong Yang, Shuhong Yu, Z. Ji, 2008, Small.

Single Pt atoms supported on oxidized graphene as a promising catalyst for hydrolysis of ammonia borane

Jinlong Yang, Hong Wu, Q. Luo, 2018, Chinese Journal of Chemical Physics.

High-Throughput Screening of Rattling-Induced Ultralow Lattice Thermal Conductivity in Semiconductors.

Wei Hu, Jinlong Yang, Jielan Li, 2022, Journal of the American Chemical Society.

Hydrogen-incorporation stabilization of metallic VO2(R) phase to room temperature, displaying promising low-temperature thermoelectric effect.

Ziyu Wu, Lele Peng, Yi Xie, 2011, Journal of the American Chemical Society.

A Kinetic Pathway toward High-Density Ordered N Doping of Epitaxial Graphene on Cu(111) Using C5NCl5 Precursors.

Jinlong Yang, P. Cui, C. Zeng, 2017, Journal of the American Chemical Society.

Point defects in lines in single crystalline phosphorene: directional migration and tunable band gaps.

Jinlong Yang, Xiuling Li, Liang Ma, 2016, Nanoscale.

Effects of interlayer coupling and electric fields on the electronic structures of graphene and MoS2 heterobilayers

Wei Hu, Jinlong Yang, Tian Wang, 2016 .

New insights into the stability and structural evolution of some gold nanoclusters.

Jinlong Yang, Longjiu Cheng, Jinyun Yuan, 2017, Nanoscale.

Room-temperature large magnetic-dielectric coupling in new phase anatase VTiO(4).

Jinlong Yang, Yi Xie, Wensheng Yan, 2013, Chemical communications.

Will zigzag graphene nanoribbon turn to half metal under electric field

Jinlong Yang, J. Hou, E. Kan, 2007, 0708.1213.

Spin Selection Rule in Single-Site Catalysis of Molecular Oxygen Adsorption on Transition-Metal Phthalocyanines

Jinlong Yang, B. Wang, Zhenyu Zhang, 2019, Journal of Physical Chemistry C.

Bilayer Graphene Growth via a Penetration Mechanism

Jinlong Yang, Ping Wu, Zhenyu Li, 2014, 1403.4323.

Kernel Tuning and Nonuniform Influence on Optical and Electrochemical Gaps of Bimetal Nanoclusters.

Jinlong Yang, Zhikun Wu, Chengming Wang, 2018, Journal of the American Chemical Society.

Visualizing Elementary Reactions of Methanol by Electrons and Holes on TiO2(110) Surface

Jinlong Yang, Yi Luo, Jin Zhao, 2018, The Journal of Physical Chemistry C.

Size-dependent tunneling differential conductance spectra of crystalline Pd nanoparticles

Jinlong Yang, W. Lu, J. Hou, 2004 .

Tunable Schottky and Ohmic contacts in graphene and tellurene van der Waals heterostructures.

Wei Hu, Jinlong Yang, Xinming Qin, 2019, Physical chemistry chemical physics : PCCP.

Two-dimensional bimetal-embedded expanded phthalocyanine monolayers: a class of multifunctional materials with fascinating properties

Jinlong Yang, Li‐Ming Yang, Xingxing Li, 2023, 2307.05237.

The Electronic State and Spatial Distribution of Excess Charge Created by Oxygen Vacancies on Titanium Dioxide Surfaces

Jinlong Yang, H. Petek, Jin Zhao, 2010 .

Efficient interlayer charge release for high-performance layered thermoelectrics

Jinlong Yang, Yi Xie, Chong Xiao, 2020, National science review.

Steric Hindrance Effect in High-Temperature Reactions

Jinlong Yang, Zhenyu Li, Xiongzhi Zeng, 2020 .

Penta-Pt2N4: an ideal two-dimensional material for nanoelectronics.

Jinlong Yang, Rujie Sun, Haidi Wang, 2018, Nanoscale.

Two-dimensional Penta-Pt2N4: an ideal material for nanoelectronics

Jinlong Yang, Haidi Wang, Jiuyu Sun, 2018, 1804.07490.

Gold atom-decorated CoSe2 nanobelts with engineered active sites for enhanced oxygen evolution

Jinlong Yang, P. Gao, Jie Zeng, 2017 .

Ab initio photoionization dynamics of β-alanine

Jinlong Yang, S. Tian, 2007 .

C3N: a Two Dimensional Semiconductor Material with High stiffness,Superior Stability and Bending Poisson's Effect

Jinlong Yang, Haidi Wang, Hong Wu, 2017, 1703.08754.

Stable Heteropolyoxotitanate Nanocluster for Full Solar Spectrum Photocatalytic Hydrogen Evolution

Jinlong Yang, Junxiang Zhang, Jun Zhang, 2017 .

AFM study of crystalline cellulose in the cell walls of straw

Jinlong Yang, Lifeng Yan, Wan Li, 2006 .

Are Azafullerene Encapsulated Single-Walled Carbon Nanotubes n-Type Semiconductors?

Jinlong Yang, Zhenyu Li, S. Ni, 2011 .

Geometric and electronic properties of Sc2C2@C84

Jinlong Yang, Haiping Wu, K. Deng, 2006 .

Atomically thin semiconducting penta-PdP2 and PdAs2 with ultrahigh carrier mobility

Jinlong Yang, Zhenyu Li, Hao Yuan, 2018 .

Nodal-Loop Half Metallicity in Two-Dimensional Fe4N2 Pentagon Crystal with Room-Temperature Ferromagnetism

Jinlong Yang, Xiaojun Wu, Haifeng Lv, 2021, Nanoscale.

Electronic and optical properties of TiO2 nanotubes and arrays: a first-principles study.

Jinlong Yang, Q. Meng, Z. Guan, 2014, Physical chemistry chemical physics : PCCP.

Halogen modified two-dimensional covalent triazine frameworks as visible-light driven photocatalysts for overall water splitting

Jinlong Yang, Cen-Feng Fu, Jin Zhao, 2020, Science China Chemistry.

Tunable Rashba spin splitting in Janus transition-metal dichalcogenide monolayers via charge doping

Wei Hu, Jinlong Yang, Kai-Hsin Wu, 2020, RSC advances.

Electronic structure of [121]tetramantane-6-thiol on gold and silver surfaces.

Jinlong Yang, Ziyu Wu, Yi Luo, 2009, Journal of Chemical Physics.

Molecular molds for regularizing Kondo states at atom/metal interfaces

Jinlong Yang, Yi Luo, B. Wang, 2020, Nature Communications.

Single-electron tunneling spectroscopy of single C60 in double-barrier tunnel junction.

Jinlong Yang, Jin Zhao, J. Hou, 2006, The Journal of chemical physics.

Comparative Study on Electronic Structures of Sc and Ti Contacts with Monolayer and Multilayer MoS2.

Jinlong Yang, Xingxing Li, Zhongjun Li, 2015, ACS applied materials & interfaces.

Interactions in different domains of truxenone supramolecular assembly on Au(111).

Jinlong Yang, B. Wang, J. Hou, 2012, Physical chemistry chemical physics : PCCP.

Formation and diffusion of oxygen-vacancy pairs on TiO2(110)-(1x1).

Jinlong Yang, J. Hou, B. Wang, 2008, The Journal of chemical physics.

SUPERCONDUCTIVITY AND CRYSTALLINITY IN EPITAXIAL THIN FILMS OF YBa2Cu3Oy GROWN ON Eu2CuO4/YSZ DOUBLE BUFFERED SILICON

X. S. Wu, Jinlong Yang, Jin-Hua Gao, 2007 .

Electronic, Optical, and Mechanical Properties of Diamond Nanowires Encapsulated in Carbon Nanotubes: A First-Principles View

Jinlong Yang, Haidi Wang, Bin Li, 2017 .

Improved epitaxy and surface morphology in YBa2Cu3Oy thin films grown on double buffered Si wafers

Jinlong Yang, Jian-Feng Gao, L. Kang, 2003 .

Room-Temperature Ferromagnetism in Two-Dimensional Fe2Si Nanosheet with Enhanced Spin-Polarization Ratio.

Jinlong Yang, Xiaojun Wu, Zhiwen Zhuo, 2017, Nano letters.

Theoretical proposal and material realization of ferromagnetic negative charge-transfer energy insulator

Jinlong Yang, Wenjie Zhu, Xingxing Li, 2023, Physical Review B.

C7N6/Sc2CCl2 Weak van der Waals Heterostructure: A Promising Visible-Light-Driven Z-Scheme Water Splitting Photocatalyst with Interface Ultrafast Carrier Recombination.

Jinlong Yang, J. Meng, Qunxiang Li, 2022, The journal of physical chemistry letters.

First-Principles Study of Molecular Clusters Formed by Nitric Acid and Ammonia.

Jinlong Yang, Zhenyu Li, Xunlei Ding, 2017, The journal of physical chemistry. A.

New Phase Hollandite‐Type VOOH Quadranglular Nanorods: A New Smart Electrical Switch Material.

Jinlong Yang, Yi Xie, Changzheng Wu, 2010 .

Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic Orbitals

Jinlong Yang, Honghui Shang, 2020, Frontiers in Chemistry.

CrSbS3 monolayer: a potential phase transition ferromagnetic semiconductor.

Jinlong Yang, Xingxing Li, Xiangyang Li, 2021, Nanoscale.

Proximity Effect Induced Spin Injection in Phosphorene on Magnetic Insulator.

Jinlong Yang, Bin Li, Hao-qi Chen, 2017, ACS applied materials & interfaces.

The roles of buckled geometry and water environment in the excitonic properties of graphitic C3N4.

Jinlong Yang, Jiuyu Sun, Xingxing Li, 2018, Nanoscale.

Electronic Structure of Large-Scale Graphene Nanoflakes

Chao Yang, Wei Hu, Jinlong Yang, 2014, 1409.1211.

High Curie Temperature and Intrinsic Ferromagnetic Half-Metallicity in Mn2X3 (X = S, Se, Te) Nanosheets.

Jinlong Yang, Xingxing Li, Xiangyang Li, 2021, The journal of physical chemistry letters.

Disorder and suppression of quantum confinement effects in Pd nanoparticles.

Jinlong Yang, B. Wang, J. Hou, 2003, Physical review letters.

Theoretical proposal and material realization of ferromagnetic negative charge-transfer energy insulator

Jinlong Yang, Xingxing Li, Z. Wang, 2021, Physical Review B.

High-Throughput Computational Screening for Bipolar Magnetic Semiconductors

Jinlong Yang, Haidi Wang, Q. Feng, 2021, Research.

Research_9857631 1..8

Jinlong Yang, Haidi Wang, Xingxing Li, 2022 .

AN INVESTIGATION OF PROPANE USING ELECTRON MOMENTUM SPECTROSCOPY

Jinlong Yang, S. Tian, L. F. Yuan, 1999 .

Direct observation of single-molecule hydrogen-bond dynamics with single-bond resolution

Jinlong Yang, Ce Zhou, Chuancheng Jia, 2018, Nature Communications.

Hydrogen-incorporated TiS2 ultrathin nanosheets with ultrahigh conductivity for stamp-transferrable electrodes.

Jinlong Yang, Yi Xie, Lele Peng, 2013, Journal of the American Chemical Society.

Conjugated Microporous Polymer Nanosheets for Overall Water Splitting Using Visible Light

Jinlong Yang, Xiaojun Wu, Y. Xiong, 2017, Advanced materials.

Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons.

Chao Yang, Lin Lin, Wei Hu, 2017, Journal of the American Chemical Society.

Role of Surface Stress on the Reactivity of Anatase TiO2(001).

Jinlong Yang, Caizhuang Wang, Jin Zhao, 2017, The journal of physical chemistry letters.

Ambipolar Half-Metallicity in One-Dimensional Metal–(1,2,4,5-Benzenetetramine) Coordination Polymers via Carrier Doping

Jinlong Yang, Xiaojun Wu, Yangyang Wan, 2018 .

Half-metallicity in MnPSe₃ exfoliated nanosheet with carrier doping.

Jinlong Yang, Xiaojun Wu, Xingxing Li, 2014, Journal of the American Chemical Society.

Half-metallicity in hybrid BCN nanoribbons.

Jinlong Yang, Xiaojun Wu, E. Kan, 2008, The Journal of chemical physics.

Room-Temperature Ferromagnetism in Transition Metal Embedded Borophene Nanosheets.

Jinlong Yang, Xingxing Li, Xiangyang Li, 2019, The journal of physical chemistry letters.

Two-Dimensional Phosphorus Porous Polymorphs with Tunable Band Gaps.

Jinlong Yang, Xiaojun Wu, Zhiwen Zhuo, 2016, Journal of the American Chemical Society.

Edge-Modified Phosphorene Nanoflake Heterojunctions as Highly Efficient Solar Cells.

Chao Yang, Wei Hu, Jinlong Yang, 2016, Nano letters.

Prediction for room-temperature half-metallic ferromagnetism in the half-fluorinated single layers of BN and ZnO

Myung-Hwan Whangbo, Fang Wu, Chuan Tian, 2010 .

Theoretical advances in two-dimensional materials for photocatalytic water splitting

Jinlong Yang, Cen-Feng Fu, 2021 .

Novel lattice-searching method for modeling the optimal strain-free close-packed isomers of clusters.

Jinlong Yang, Longjiu Cheng, 2007, The journal of physical chemistry. A.

Bottom-up precise synthesis of stable platinum dimers on graphene

Jinlong Yang, Wei Liu, Junjie Li, 2017, Nature Communications.

The Nanoparticle Size Effect in Graphene Cutting: A "Pac-Man" Mechanism.

Jinlong Yang, Jin Zhao, Zhenyu Li, 2016, Angewandte Chemie.

Distinguishing adjacent molecules on a surface using plasmon-enhanced Raman scattering.

Jinlong Yang, Yi Luo, Song Jiang, 2015, Nature nanotechnology.

The Contacts of the Monolayer Semiconductor C2N with 2D Metal Electrodes

Jinlong Yang, Xingxing Li, Zhao-ying Chen, 2019, Advanced Theory and Simulations.

Intrinsic Electric Fields in Two-dimensional Materials Boost the Solar-to-Hydrogen Efficiency for Photocatalytic Water Splitting.

Wei Hu, Jinlong Yang, Cen-Feng Fu, 2018, Nano letters.

Proposed mechanical method for switching the spin transport channel in two-dimensional magnetic metal-magnetic semiconductor van der Waals contacts.

Jinlong Yang, P. Gao, Xingxing Li, 2020, Nanoscale horizons.

Half-metallicity in edge-modified zigzag graphene nanoribbons.

Jinlong Yang, J. Hou, Zhenyu Li, 2008, Journal of the American Chemical Society.

Electrically driven single-photon emission from an isolated single molecule

Jinlong Yang, Yi Luo, Yang Zhang, 2017, Nature Communications.

Room‐Temperature Ferromagnetic Silver Vanadium Oxide (Ag1.2V3O8): A Magnetic Semiconductor Nanoring Structure

Jinlong Yang, Yi Xie, Wensheng Yan, 2010 .

Can High-Temperature Reactions Be Described by a Minimum Energy Path Model? Steric Hindrance Matters

Jinlong Yang, Zhenyu Li, Xiongzhi Zeng, 2020, 2003.10811.

On the shuttling mechanism of a chlorine atom in a chloroaluminum phthalocyanine based molecular switch.

Jinlong Yang, Cen-Feng Fu, Kai Wu, 2017, Physical chemistry chemical physics : PCCP.

Strain-Stabilized Metastable Face-Centered Tetragonal Gold Overlayer for Efficient CO2 Electroreduction.

Jinlong Yang, A. Pan, Chao Ma, 2021, Nano letters.

Computation-Guided Development of Platinum Alloy Catalyst for Carbon Monoxide Preferential Oxidation

Jinlong Yang, S. Hwang, Xiaochen Shen, 2018 .

Two-dimensional silicon crystals with sizable band gaps and ultrahigh carrier mobility.

Jinlong Yang, Xiaojun Wu, Zhiwen Zhuo, 2018, Nanoscale.

Room-temperature large magnetic-dielectric coupling in new phase anatase VTiO(4).

Jinlong Yang, Yi Xie, Wensheng Yan, 2013, Chemical communications.

Geometric and electronic structures of metal-substituted fullerenes C59M (M=Fe, Co, Ni, and Rh)

Jinlong Yang, X. Cui, C. Chan, 1999 .

A Silver Nanocluster Containing Interstitial Sulfur and Unprecedented Chemical Bonds.

Jinlong Yang, Shiming Zhou, Zhikun Wu, 2018, Angewandte Chemie.

Significantly enhanced magnetoresistance in monolayer WTe2via heterojunction engineering: a first-principles study.

Jinlong Yang, Lei Kang, Feng Liu, 2018, Nanoscale.

Transition-Metal Diboride: A New Family of Two-Dimensional Materials Designed for Selective CO2 Electroreduction

Jinlong Yang, Zhenyu Li, Hao Yuan, 2019, The Journal of Physical Chemistry C.

Icosahedral B12-containing core-shell structures of B80.

Jinlong Yang, X. Zeng, N. Shao, 2010, Chemical communications.

Silicene as a highly sensitive molecule sensor for NH3, NO and NO2.

Wei Hu, Jinlong Yang, Xiaojun Wu, 2014, Physical chemistry chemical physics : PCCP.

High performance computing of DGDFT for tens of thousands of atoms using millions of cores on Sunway TaihuLight.

Jinlong Yang, Dexun Chen, Wei Hu, 2020, Science bulletin.

First principles study of fluorine substitution on two-dimensional germanane

Jinlong Yang, Jin Zhao, Lin Hu, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Active hydrogen species on TiO2 for photocatalytic H2 production.

Jinlong Yang, Wenhua Zhang, Weixin Huang, 2014, Physical chemistry chemical physics : PCCP.

Site-specific photocatalytic splitting of methanol on TiO2(110)

Jinlong Yang, Zhibo Ma, A. Wodtke, 2010 .

Transition between direct gap and indirect gap in two dimensional hydrogenated honeycomb SixGe1−x alloys

Jinlong Yang, Nan Xia, Lan-feng Yuan, 2014, Theoretical Chemistry Accounts.

Superatom networks in thiolate-protected gold nanoparticles.

Jinlong Yang, Longjiu Cheng, Yuan Yuan, 2013, Angewandte Chemie.

Stable Metallic 1T‐WS2 Nanoribbons Intercalated with Ammonia Ions: The Correlation between Structure and Electrical/Optical Properties

P. Ajayan, Jinlong Yang, Xiuling Li, 2015, Advanced materials.

β-SnS/GaSe heterostructure: a promising solar-driven photocatalyst with low carrier recombination for overall water splitting

Jinlong Yang, J. Meng, Qunxiang Li, 2022, Journal of Materials Chemistry A.

One-Dimensional Magnetic Order Stabilized in Edge Reconstructed MoS2 Nanoribbon via Bias Voltage.

Jinlong Yang, Zhenyu Li, Xiaohui Deng, 2020, The journal of physical chemistry letters.

Coherent transport through spin-crossover magnet Fe2 complexes.

Jinlong Yang, Weiyi Wang, Jing Huang, 2016, Nanoscale.

Magnetism of semiconductor-based magnetic tunnel junctions under electric field from first principles

Jinlong Yang, H. Xiang, M. Whangbo, 2009 .

Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance.

Jinlong Yang, Shangfeng Yang, H. Su, 2012, The Journal of chemical physics.

Electron affinities and electronic structures of o-, m-, and p-hydroxyphenoxyl radicals: a combined low-temperature photoelectron spectroscopic and Ab initio calculation study.

Jinlong Yang, Q. Fu, Xue‐Bin Wang, 2010, The journal of physical chemistry. A.

First-principles Study of Geometric and Electronic Structures of Si(111)-√7 × √3-In Surface Reconstruction

Jinlong Yang, B. Shang, Lan-feng Yuan, 2012 .

Structural and electronic properties of OsB2 : A hard metallic material

Jinlong Yang, H. Xiang, J. Hou, 2006 .

Energy level realignment in weakly interacting donor-acceptor binary molecular networks.

Jinlong Yang, Jialin Zhang, Wei Chen, 2014, ACS nano.

Comparative Study on Electronic Structures of Sc and Ti Contacts with Monolayer and Multilayer MoS2.

Jinlong Yang, Xingxing Li, Zhongjun Li, 2015, ACS applied materials & interfaces.

From isosuperatoms to isosupermolecules: new concepts in cluster science.

Jinlong Yang, Longjiu Cheng, Lan-feng Yuan, 2016, Nanoscale.

Tetrahedral Au17+: A Superatomic Molecule with a Au13 FCC Core

Jinlong Yang, Longjiu Cheng, Lijuan Yan, 2015 .

Mono-Mercury Doping of Au25 and the HOMO/LUMO Energies Evaluation Employing Differential Pulse Voltammetry.

Jinlong Yang, Shiming Zhou, Cen-Feng Fu, 2015, Journal of the American Chemical Society.

A cycloparaphenylene nanoring with graphenic hexabenzocoronene sidewalls.

Jinlong Yang, Shangfeng Yang, Pingwu Du, 2016, Chemical communications.

Kondo effect in single cobalt phthalocyanine molecules adsorbed on Au(111) monoatomic steps.

Jinlong Yang, B. Wang, J. Hou, 2008, The Journal of chemical physics.