Wei Chen

发表

Theoretical study on static (hyper)polarizabilities for polyimide by the elongation finite-field method

Y. Aoki, F. Gu, Y. Orimoto, 2009 .

Investigation on the Electronic Structures and Nonlinear Optical Properties of Pristine Boron Nitride and Boron Nitride-Carbon Heterostructured Single-Wall Nanotubes by the Elongation Method

Y. Aoki, F. Gu, Guangtao Yu, 2009 .

Novel metal-[metal oxide]-nonmetal sandwich-like superalkali compounds Li3OMC5H5 (M = Be, Mg, and Ca): How to increase the aromaticity of Li ring?

Chia-Chung Sun, Guangtao Yu, Wei Chen, 2009 .

The trigonal bipyramidal MN3M species: a new kind of aromatic complex containing a multiple-fold aromatic N3 subunit.

Chia-Chung Sun, Wei Chen, Di Wu, 2005, Chemphyschem : a European journal of chemical physics and physical chemistry.

New acceptor-bridge-donor strategy for enhancing NLO response with long-range excess electron transfer from the NH2...M/M3O donor (M = Li, Na, K) to inside the electron hole cage C20F19 acceptor through the unusual σ chain bridge (CH2)4.

Chia-Chung Sun, Zhongjun Zhou, Wei Chen, 2013, The journal of physical chemistry. A.

Nonlinear optical response and transparency of hexagonal boron nitride hybrid graphene nanoribbons

Xuri Huang, Zhongjun Zhou, Guangtao Yu, 2014 .

Constructing a mixed π-conjugated bridge: a simple and effective approach to realize a large first hyperpolarizability in carbon nanotube-based systems

Xuri Huang, Hui Zhang, Guangtao Yu, 2013 .

The complexant shape effect on first (hyper)polarizability of alkalides Li+(NH2CH3)4M− (M = Li, Na, and K)

Hong-liang Xu, Guangtao Yu, Wei Chen, 2011 .

Structures and considerable static first hyperpolarizabilities: new organic alkalides (M+@n6adz)M'- (M, M'=Li, Na, K; n=2, 3) with cation inside and anion outside of the cage complexants.

Zong‐Jun Li, Y. Aoki, F. Gu, 2008, The journal of physical chemistry. B.

The static polarizability and first hyperpolarizability of the water trimer anion: ab initio study.

Chia-Chung Sun, F. Gu, Wei Chen, 2004, The Journal of chemical physics.

Coupling Mo2 C with Nitrogen-Rich Nanocarbon Leads to Efficient Hydrogen-Evolution Electrocatalytic Sites.

Yuanhui Sun, Guodong Li, T. Asefa, 2015, Angewandte Chemie.

A highly efficient overall water splitting ruthenium-cobalt alloy electrocatalyst across a wide pH range via electronic coupling with carbon dots

Weihua Chen, Shoujun Zhu, Guangtao Yu, 2020, Journal of Materials Chemistry A.

Study of π Halogen Bonds in Complexes C2H4-nFn−ClF (n = 0−2)

Chia-Chung Sun, Wei Chen, Di Wu, 2005 .

Characterization of solvated electrons in hydrogen cyanide clusters: (HCN)n- (n=3, 4).

Chia-Chung Sun, Wei Chen, Di Wu, 2006, The Journal of chemical physics.

Structures and nonlinear optical properties of lithium-adsorbed polycyclic π-conjugated pentacene systems

Xuri Huang, Guangtao Yu, Wei Chen, 2015, Chemical Research in Chinese Universities.

Introducing the triangular BN nanodot or its cooperation with the edge-modification via the electron-donating/withdrawing group to achieve the large first hyperpolarizability in a carbon nanotube system.

Xuri Huang, Guangtao Yu, Wei Chen, 2017, Physical chemistry chemical physics : PCCP.

Metallic Co9S8 nanosheets grown on carbon cloth as efficient binder-free electrocatalysts for the hydrogen evolution reaction in neutral media

Meihong Fan, De-jun Wang, Guodong Li, 2016 .

Bonding the superalkali M 3 O (M = Li and K): An effective strategy to improve the electronic and nonlinear optical properties of the inorganic B 40 nanocage

Xuri Huang, Guangtao Yu, Wei Chen, 2017 .

Highly Active, Nonprecious Electrocatalyst Comprising Borophene Subunits for the Hydrogen Evolution Reaction.

Xuri Huang, De-jun Wang, P. Zhu, 2017, Journal of the American Chemical Society.

Constructing (super)alkali-boron-heterofullerene dyads: an effective approach to achieve large first hyperpolarizabilities and high stabilities in M3O-BC59 (M = Li, Na and K) and K@n-BC59 (n = 5 and 6).

Xuri Huang, Guangtao Yu, Wei Chen, 2014, Physical chemistry chemical physics : PCCP.

The effects of external electric field: creating non-zero first hyperpolarizability for centrosymmetric benzene and strongly enhancing first hyperpolarizability for non-centrosymmetric edge-modified graphene ribbon H2N-(3,3)ZGNR-NO2

Chia-Chung Sun, Zhongjun Zhou, Wei Chen, 2013, Journal of Molecular Modeling.

Characteristic of structures and pi-hydrogen bond of dimers C2H4-nFn-HF (n=0,1,2).

Chia-Chung Sun, Wei Chen, Di Wu, 2004, The Journal of chemical physics.

Theoretical insights and design of intriguing nonlinear optical species involving the excess electron

Xuri Huang, Guangtao Yu, Wei Chen, 2015 .

Theoretical Study on the High HER/OER Electrocatalytic Activities of 2D GeSi, SnSi, and SnGe Monolayers and Further Improvement by Imposing Biaxial Strain or Doping Heteroatoms

Guangtao Yu, Wei Chen, Ying Li, 2022, Molecules.

Janus MoPC Monolayer with Superior Electrocatalytic Performance for the Hydrogen Evolution Reaction.

Meng Tang, Guochun Yang, Guangtao Yu, 2022, ACS applied materials & interfaces.

(Super)alkali atoms interacting with the σ electron cloud: a novel interaction mode triggers large nonlinear optical response of M@P4 and M@C3H6 (M=Li, Na, K and Li3O)

Xuri Huang, Guangtao Yu, Wei Chen, 2013, Journal of Molecular Modeling.

TaIrTe4 Monolayer with Topological Insulator Characteristic: A New and Highly Efficient Electrocatalyst toward Oxygen Reduction Reaction

Guangtao Yu, Wei Chen, Xu-Guang Huang, 2022, The Journal of Physical Chemistry C.

Theoretical investigation of the large nonlinear optical properties of (HCN)n clusters with Li atom.

Chia-Chung Sun, Wei Chen, Di Wu, 2005, The journal of physical chemistry. B.

The interaction between superalkalis (M3O, M = Na, K) and a C20F20 cage forming superalkali electride salt molecules with excess electrons inside the C20F20 cage: dramatic superalkali effect on the nonlinear optical property

Chia-Chung Sun, Zhongjun Zhou, Wei Chen, 2012 .

Cyclobutadiene complexed with Li atom and the effects of substituting by F atom in LiC4H4

Chia-Chung Sun, Wei Chen, Di Wu, 2006 .

Electric field effects on the intermolecular interactions in water whiskers: insight from structures, energetics, and properties.

B. Sumpter, Jingsong Huang, Zhongjun Zhou, 2015, The journal of physical chemistry. A.

Carbon‐Encapsulated WOx Hybrids as Efficient Catalysts for Hydrogen Evolution

P. Shen, Shengyu Jing, Shibin Yin, 2018, Advanced materials.

Nonlinear optical properties of alkalides Li+(calix[4]pyrrole)M- (M = Li, Na, and K): alkali anion atomic number dependence.

Y. Aoki, F. Gu, Wei Chen, 2006, Journal of the American Chemical Society.

Constructing a mixed π-conjugated bridge to effectively enhance the nonlinear optical response in the Möbius cyclacene-based systems.

Wei Chen, Xingang Zhao, Xuri Huang, 2014, Physical chemistry chemical physics : PCCP.

The structure and the large nonlinear optical properties of Li@calix[4]pyrrole.

Feng Long Gu, Wei Chen, Di Wu, 2005, Journal of the American Chemical Society.

High-index faceted Ni3S2 nanosheet arrays as highly active and ultrastable electrocatalysts for water splitting.

Hui Li, Wei Chen, Tewodros Asefa, 2015, Journal of the American Chemical Society.

Highly efficient catalytic activity for the hydrogen evolution reaction on pristine and monovacancy defected WP systems: a first-principles investigation.

Xuri Huang, Guangtao Yu, Wei Chen, 2018, Physical chemistry chemical physics : PCCP.

Constructing a simple Cone–Chain motif to significantly enhance the first hyperpolarizability of horn-shaped carbon nanocones

Guangtao Yu, Wei Chen, Mengxia Wang, 2021, Physica E: Low-dimensional Systems and Nanostructures.

Doping the alkali atom: an effective strategy to improve the electronic and nonlinear optical properties of the inorganic Al12N12 nanocage.

Xuri Huang, Guangtao Yu, Wei Chen, 2014, Inorganic chemistry.

Alkali metal atom‐aromatic ring: A novel interaction mode realizes large first hyperpolarizabilities of M@AR (M = Li, Na, and K, AR = pyrrole, indole, thiophene, and benzene)

Chia-Chung Sun, Xu-Ri Huang, Wei Chen, 2011, J. Comput. Chem..

Theoretical study on nonlinear optical properties of the Li+[calix[4]pyrrole]Li−dimer, trimer and its polymer with diffuse excess electrons

Wei Chen, Feng Long Gu, Yuriko Aoki, 2009, J. Comput. Chem..

The nitrogen edge‐doped effect on the static first hyperpolarizability of the supershort single‐walled carbon nanotube

Di Wu, Wei Chen, Yuriko Aoki, 2009, J. Comput. Chem..

Large static first and second hyperpolarizabilities dominated by excess electron transition for radical ion pair salts M2*+TCNQ*- (M=Li, Na, K).

Xuri Huang, Zong‐Jun Li, Hong-liang Xu, 2009, Physical chemistry chemical physics : PCCP.

The Heavier, the Better-Increased First Hyperpolarizabilities in M@Calix[4]pyrrole (M = Na and K)

Xu-Ri Huang, Wei Chen, Xuri Huang, 2011 .

Facile Strategy to Extend Stability of Simple Component-Alumina-Supported Palladium Catalysts for Efficient Methane Combustion.

Yihong Xiao, Lilong Jiang, Yong Zheng, 2020, ACS applied materials & interfaces.

Molecular charge transfer via π–π interaction: an effective approach to realize the half-metallicity and spin-gapless-semiconductor in zigzag graphene nanoribbon

Xuri Huang, Yuanhui Sun, Guangtao Yu, 2015 .

Theoretical study of the Si2NO potential energy surface

Yi‐hong Ding, Xuri Huang, Guangtao Yu, 2007 .

Evolution of lone pair of excess electrons inside molecular cages with the deformation of the cage in e2@C60F60 systems

Di Wu, Wei Chen, Zhi-Ru Li, 2011, J. Comput. Chem..

Do single-electron lithium bonds exist? Prediction and characterization of the H3C...Li-Y (Y=H, F, OH, CN, NC, and CCH) complexes.

Wei Chen, Ying Li, Di Wu, 2006, The Journal of chemical physics.

Royal crown‐shaped electride Li3‐N3‐Be containing two superatoms: New knowledge on aromaticity

Xiao Ying Sun, Zhi Ru Li, Fang Fang Wang, 2006, J. Comput. Chem..

Successive hydrogenation starting from the edge(s): an effective approach to fine-tune the electronic and magnetic behaviors of SiC nanoribbons

Xuri Huang, Guangtao Yu, Wei Chen, 2012 .

Through the Self-Optimization process to achieve high OER activity of SAC catalysts within the framework of TMO3@G and TMO4@G: A High-Throughput theoretical study.

Guangtao Yu, Wei Chen, Qingxian Wang, 2023, Journal of colloid and interface science.

High HER Catalytic Activity of Bulk GeP3 System and Its further Improvement by Introducing Monovacancy: A First-Principles Investigation

Guangtao Yu, Wei Chen, Jing Gao, 2021 .

Molecular charge transfer by adsorbing TCNQ/TTF molecules via π-π interaction: a simple and effective strategy to modulate the electronic and magnetic behaviors of zigzag SiC nanoribbons.

Xuri Huang, Yuanhui Sun, Hui Zhang, 2015, Physical chemistry chemical physics : PCCP.

Dihalogen edge-modification: an effective approach to realize the half-metallicity and metallicity in zigzag silicon carbon nanoribbons

Xuri Huang, Hui Zhang, Guangtao Yu, 2014 .

Covalent surface modification with electron-donating/accepting π-conjugated chains to effectively tune the electronic and magnetic properties of zigzag SiC nanoribbons

Xuri Huang, Hui Li, Guangtao Yu, 2017 .

Adsorbing the 3d-transition metal atoms to effectively modulate the electronic and magnetic behaviors of zigzag SiC nanoribbons.

Xuri Huang, Hui Li, Guangtao Yu, 2017, Physical chemistry chemical physics : PCCP.

Adsorbing a PVDF polymer via noncovalent interactions to effectively tune the electronic and magnetic properties of zigzag SiC nanoribbons.

Xuri Huang, Yuanhui Sun, Hui Li, 2015, Physical chemistry chemical physics : PCCP.

Efficient oxygen evolution electrocatalysis in acid by a perovskite with face-sharing IrO6 octahedral dimers

Xuri Huang, Wensheng Yan, Guangtao Yu, 2018, Nature Communications.

Novel superalkali superhalogen compounds (Li3)+(SH)- (SH=LiF2, BeF3, and BF4) with aromaticity: new electrides and alkalides.

Wei Chen, Fangfang Wang, Di Wu, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

Applying surface strain and coupling with pure or N/B-doped graphene to successfully achieve high HER catalytic activity in 2D layered SnP3-based nanomaterials: a first-principles investigation

Xuri Huang, Guangtao Yu, Wei Chen, 2020 .

Unique Electronic Structure in a Porous Ga-In Bimetallic Oxide Nano-Photocatalyst with Atomically Thin Pore Walls.

Xuri Huang, T. Xie, Yuanhui Sun, 2016, Angewandte Chemie.

Theoretical investigation on the high HER catalytic activity of 2D layered GeP3 nanomaterials and its further enhancement by applying the surface strain or coupling with graphene

Xuri Huang, Guangtao Yu, Wei Chen, 2019, Applied Surface Science.

The structures, stabilities, electronic and magnetic properties of fully and partially hydrogenated germanene nanoribbons: A first-principles investigation

Xuri Huang, Hui Zhang, Hui Li, 2017 .

The crucial role of strained ring in enhancing the hydrogen evolution catalytic activity for the 2D carbon allotropes: a high-throughput first-principles investigation

Xuri Huang, Guangtao Yu, Wei Chen, 2019, 2D Materials.

Theoretical Investigation of HER and OER Electrocatalysts Based on the 2D R-graphyne Completely Composed of Anti-Aromatic Carbon Rings

Guangtao Yu, Wei Chen, Cui Li, 2023, Molecules.

Increasing Silicon Concentration and Doping Heteroatom to Successfully Realize High HER Catalytic Activity in 2D Metal-Free BSin (n = 1-4) Structures: A First-Principles Study

Guangtao Yu, Wei Chen, Ying Li, 2021, Journal of The Electrochemical Society.

Theoretical design of a series of 2D TM-C3N4 and TM-C3N4@graphene (TM = V, Nb and Ta) nanostructures with highly efficient catalytic activity for the hydrogen evolution reaction.

Xuri Huang, Guangtao Yu, Wei Chen, 2019, Physical chemistry chemical physics : PCCP.

Theoretical insights into the effective hydrogen evolution on Cu3P and its evident improvement by surface-doped Ni atoms.

Xuri Huang, Hui Li, Guangtao Yu, 2018, Physical chemistry chemical physics : PCCP.

Theoretical investigation on structures, stability and properties of [P, X, Y] (X=C, Si; Y = O, S) isomers

Xuri Huang, Guangtao Yu, Wei Chen, 2013 .

On reactivity of superatom Be 8 C with nucleophiles to produce hydrogen

Wei Chen, Di Wu, Ying Li, 2021, International Journal of Quantum Chemistry.

Inverse sodium hydride: density functional theory study of the large nonlinear optical properties.

Wei Chen, Di Wu, Ying Li, 2005, The journal of physical chemistry. A.

Theoretical investigation on the structures, electronic and magnetic properties of new 2D/1D composite nanosystems by adsorbing superhalogen MnCl3 on the BN monolayer/nanoribbons

Xuri Huang, Guangtao Yu, Wei Chen, 2019, Theoretical Chemistry Accounts.

Tailoring the Electronic and Magnetic Properties of Two-Dimensional Silicon Carbide Sheets and Ribbons by Fluorination

Xuri Huang, B. Yakobson, Zhiming Shi, 2016 .

Proton transfer of NH3-HCl catalyzed by only one molecule.

Wei Chen, Di Wu, Ying Li, 2005, The journal of physical chemistry. A.

Host-Guest Interaction Creates Hydrogen-Evolution Electrocatalytic Active Sites in 3d Transition Metal-Intercalated Titanates.

Xuri Huang, Guodong Li, Guangtao Yu, 2018, ACS applied materials & interfaces.

Theoretical predication of the high hydrogen evolution catalytic activity for the cubic and tetragonal SnP systems.

Xuri Huang, Guangtao Yu, Wei Chen, 2019, Physical chemistry chemical physics : PCCP.

Probing the effect of carbon doping on structures, properties, and stability of magnesium clusters

Wei Chen, Di Wu, Ying Li, 2021, Theoretical Chemistry Accounts.

Ultra-thin N-doped-graphene encapsulated Ni nanoparticles coupled with MoO2 nanosheets for highly efficient water splitting at large current density

Shichun Mu, Shibin Yin, Guangtao Yu, 2020, Journal of Materials Chemistry A.

Honeycomb Borophene Fragment Stabilized in Polyanionic Sandwich Lithium Salt: A New Type of Two-Dimensional Material with Superconductivity

Liujiang Zhou, Guangtao Yu, Wei Chen, 2020 .

Adsorbing the magnetic superhalogen MnCl3 to realize intriguing half-metallic and spin-gapless-semiconducting behavior in zigzag or armchair SiC nanoribbon

Xuri Huang, Hui Li, Guangtao Yu, 2018, RSC advances.

Realizing diverse electronic and magnetic properties in hybrid zigzag BNC nanoribbons via hydrogenation.

Xuri Huang, Yuanhui Sun, Guangtao Yu, 2016, Physical chemistry chemical physics : PCCP.

Introducing the Triangular Defect to Effectively Engineer the Wide Band Gap of Boron Nitride Nanoribbons with Zigzag and Even Armchair Edges

Xuri Huang, Hui Zhang, Guangtao Yu, 2014 .

Metal-ionic-conductor potassium ferrite nanocrystals with intrinsic superhydrophilic surfaces for electrocatalytic water splitting at ultrahigh current densities

Hongming Yuan, S. Feng, Xuri Huang, 2021 .

Embedding tetrahedral 3d transition metal TM4 clusters into the cavity of two-dimensional graphdiyne to construct highly efficient and nonprecious electrocatalysts for hydrogen evolution reaction.

Xuri Huang, Guangtao Yu, Wei Chen, 2020, Physical chemistry chemical physics : PCCP.

A theoretical study on the structures and electronic and magnetic properties of new boron nitride composite nanosystems by depositing superhalogen Al13 on the surface of nanosheets/nanoribbons.

Xuri Huang, Guangtao Yu, Wei Chen, 2018, Physical chemistry chemical physics : PCCP.

A first-principles investigation on the effect of the divacancy defect on the band structures of boron nitride (BN) nanoribbons

Xuri Huang, Hui Zhang, Guangtao Yu, 2015 .

Efficient oxygen evolution electrocatalysis in acid by a perovskite with face-sharing IrO6 octahedral dimers

Chenghui Zhang, Ting Wang, Wei Chen, 2018, Nature Communications.

High-index faceted Ni3S2 nanosheet arrays as highly active and ultrastable electrocatalysts for water splitting.

Yuanhui Sun, Guodong Li, Hui Li, 2015, Journal of the American Chemical Society.

Highly efficient catalytic activity for the hydrogen evolution reaction on pristine and monovacancy defected WP systems: a first-principles investigation.

Xuri Huang, Guangtao Yu, Wei Chen, 2018, Physical chemistry chemical physics : PCCP.

Theoretical insights into the effective hydrogen evolution on Cu3P and its evident improvement by surface-doped Ni atoms.

Xuri Huang, Hui Li, Guangtao Yu, 2018, Physical chemistry chemical physics : PCCP.