Chaozheng He

发表

Synthesis and NO2 sensing properties of indium oxide nanorod clusters via a simple solvothermal route

Xiumei Xu, Haijiao Zhang, Chaozheng He, 2016 .

Hierarchical nanorod-flowers indium oxide microspheres and their gas sensing properties

Peng Sun, Xiaolong Hu, Haijiao Zhang, 2016 .

Interaction between H2O, N2, CO, NO, NO2 and N2O molecules and a defective WSe2 monolayer.

Zongxian Yang, Yanan Tang, Chaozheng He, 2017, Physical chemistry chemical physics : PCCP.

Porous carbon framework nested nickel foam as freestanding host for high energy lithium sulfur batteries

Chaozheng He, Yan Song, Xiuyuan Li, 2020 .

Computational design of BC3N2 based single atom catalyst for dramatic activation of inert CO2 and CH4 gases into CH3COOH with ultralow CH4 dissociation barrier

Chaozheng He, Chenxu Zhao, Menghui Xi, 2022, Chinese Chemical Letters.

Copper-sulfide cluster assembled architecture via in situ reaction

Chaozheng He, Baokuan Chen, Ran Wang, 2020 .

Harnessing Adsorption–Catalysis Synergy: Efficient Oxidative Removal of Gaseous Formaldehyde by a Manganese Dioxide/Metal–Organic Framework Nanocomposite at Room Temperature

Chaozheng He, K. Vikrant, Ki-Hyun Kim, 2022, Advanced Functional Materials.

Regulating contents evolution of valence bonds on carbon surface to inhibit dissolution of polysulfides during production

Chaozheng He, Caiwei Wang, Yixuan Huang, 2020 .

Enhanced catalytic activation of H2O2 by CNTs/SCH through rapid Fe(III)/Fe(II) redox couple circulation: Insights into the role of functionalized multiwalled CNTs

Chaozheng He, Wei Zhang, Q. Zuo, 2022, Separation and Purification Technology.

The kinetic study of the methane oxidation reaction catalyzed by transition metal oxides RuO/RhO/PdO

Chaozheng He, Ling-Zhi Fu, Hongxia Liu, 2020 .

Shedding light on the photophysical properties of newly designed platinum(II) complexes by adding substituents on functionalized ligands as highly efficient OLED emitters from a theoretical viewpoint

Chaozheng He, Jinglai Zhang, Li Wang, 2015 .

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

Jinlong Yang, Chaozheng He, Lei Wang, 2014 .

Molecular adsorption properties of CH4 with noble metals doped onto oxygen vacancy defect of anatase TiO2 (1 0 1) surface: First-principles calculations

Chaozheng He, Pengtao Wang, Long Lin, 2020 .

Catalytic mechanism of human N-acetylserotonin methyltransferase: a theoretical investigation

Chaozheng He, Hong-Qing He, Li Wang, 2015 .

Efficient Ch4 Separation and Vapor Uptakes in a Porous Mof Featuring 2d Interlaced Channels: Experiment and Simulation Exploration

Chaozheng He, Chenxu Zhao, Xiurong Li, 2022, SSRN Electronic Journal.

Design of S-vacancy FeS2 as an electrocatalyst for NO reduction reaction: A DFT study

Chaozheng He, Long Lin, Zhanying Zhang, 2022, Molecular Catalysis.

Density functional theory study of N2 adsorption and dissociation on 3d transition metal atoms doped Ir(100) surface

Wei Peng, Chaozheng He, Pengfei Ma, 2022, Applied Surface Science.

First principle investigation of W/P3C sheet as an efficient single atom electrocatalyst for N2 and NO electrochemical reaction with suppressed hydrogen evolution

Chaozheng He, Jingwen Sun, L. Fu, 2022, Fuel.

Fe-embedded Au (111) monolayer as an electrocatalyst for N2 reduction reaction: A first-principles investigation

Chaozheng He, Ling-Zhi Fu, Long Lin, 2021 .

A DFT study of two-dimensional P2Si monolayer modified by single transition metal (Sc-Cu) atoms for efficient electrocatalytic CO2 reduction

Chaozheng He, Jiyuan Guo, L. Fu, 2022, Chinese Chemical Letters.

Intrinsic defects promote rapid conversion of polysulfides on carbon surface to achieve high rate performance

Chaozheng He, Jianfeng Huang, Jiayin Li, 2021 .

Inverse CO2/C2H2 separation in a pillared-layer framework featuring a chlorine-modified channel by quadrupole-moment sieving

Chaozheng He, Xiu-Yuan Li, Yan Song, 2021, Separation and Purification Technology.

Anchor single atom in h-BN assist NO synthesis NH3: a computational view

Chaozheng He, L. Fu, Ya-Xing Zhang, 2022, Rare Metals.

Enhanced Interfacial Interaction of Mesoporous N, S Co-Doped Carbon Supported Wo3-Ws2 for Green and Selective Oxidation of Alcohols

Chaozheng He, Yingqi Chen, Liyan Dai, 2022, SSRN Electronic Journal.

Double-defect-induced polarization enhanced OV-BiOBr/Cu2−xS high-low junction for boosted photoelectrochemical hydrogen evolution

Yong Zhu, Chaozheng He, Zhi Chen, 2022, Applied Catalysis B: Environmental.

Highly dispersive and stable Fe3+ active sites on 2D graphitic carbon nitride nanosheets for efficient visible-light photocatalytic nitrogen fixation

Chaozheng He, Xiaoping Dong, Ran Wang, 2019, Journal of Materials Chemistry A.

A New 2D Porous Pb-MOF Based on Ribbon‐Shaped SBU and 2-Nitroimidazole: Structure and Properties

Chaozheng He, Xiu-Yuan Li, Yan Song, 2021, Journal of Inorganic and Organometallic Polymers and Materials.

Synergistically boosting highly selective CO2–to–CO photoreduction over BiOCl nanosheets via in-situ formation of surface defects and non-precious metal nanoparticles

Chaozheng He, Jianzhi Gao, Yu Huang, 2021 .

Promoted H2O and alcohols adsorption performances by modifying the channel of MOF with uncoordinated N atom

Chaozheng He, Xiu-Yuan Li, Yan Song, 2020 .

Charge-regulated CO2 capture capacity of metal atom embedded graphyne: A first-principles study

Chaozheng He, Ling-Zhi Fu, Z. Jian, 2020 .

Constructing a novel Ag nanowire@CeVO4 heterostructure photocatalyst for promoting charge separation and sunlight driven photodegradation of organic pollutants

Chaozheng He, B. Shao, H. You, 2021, Chinese Chemical Letters.

Screening and Design of 2D Metal-Organic Frameworks for Hydrogen Evolution Reaction through Controlling Transition Metals and Heteroligands

Chaozheng He, L. Fu, Ran Wang, 2022, Materials Today Nano.

Enhanced Interface Charge Transfer of Z‐Scheme Photocatalyst by Br Substitution at the Bay Position in Perylene Tetracarboxylic Diimide

Chaozheng He, Jianwu Sun, Zeyu Jiang, 2020 .

Defect-rich bimetallic yolk–shell metal-cyanide frameworks as efficient electrocatalysts for oxygen evolution reactions

Chaozheng He, Jianfeng Huang, Liyun Cao, 2021, Journal of Materials Chemistry A.

Efficient electrocatalytic reduction of NO to ammonia on BC3 nanosheets.

Chaozheng He, Chenxu Zhao, Menghui Xi, 2022, Environmental research.

CO2 capture, separation, and storage on MgSiP2 monolayer: A first-principles study

Chaozheng He, Chenxu Zhao, Jin-Rong Huo, 2022, Vacuum.

A promising controllable CO2 capture and separation materials for CO2/CH4/H2 under electric field

Chaozheng He, L. Fu, Houyong Yang, 2022, Chinese Chemical Letters.

Atomic ruthenium coordinated with chlorine and nitrogen as efficient and multifunctional electrocatalyst for overall water splitting and rechargeable zinc-air battery

Yuzhu Hu, Chaozheng He, Jianfeng Huang, 2021, Chemical Engineering Journal.

Two-dimensional titanium carbide (MXene)-supported Pt3Ti intermetallic compound catalysts for efficient room-temperature oxidative removal of gaseous formaldehyde

Chaozheng He, K. Vikrant, P. Heynderickx, 2022, Materials Today Nano.

Engineering a Series of Isoreticular Pillared Layer Ultramicroporous MOFs for Gas and Vapor Uptake.

Chaozheng He, Xiurong Li, Hai-Yu Duan, 2022, Inorganic chemistry.

Non-noble-metallic Ni2P nanoparticles modified OV-BiOBr with boosting photoelectrochemical hydrogen evolution without sacrificial agent

Yong Zhu, Chaozheng He, Yan Hu, 2022, Applied Catalysis B: Environmental.

Electro-reduction of N2 on nanostructured materials and the design strategies of advanced catalysts based on descriptors

Chaozheng He, Chenxu Zhao, Menghui Xi, 2022, Materials Today Physics.

A first-principles study on the role of hydrogen in early stage of graphene growth during the CH4 dissociation on Cu(111) and Ni(111) surfaces

Chaozheng He, Ying Wang, Zhijian Wu, 2014 .

Construction of Cr-embedded graphyne electrocatalyst for highly selective reduction of CO2 to CH4: A DFT study

Chen Zhao, Chaozheng He, Ling-Zhi Fu, 2021 .

Associative vs. dissociative mechanism: Electrocatalysis of nitric oxide to ammonia

Chaozheng He, Ling‐Xiao Fu, Chenxu Zhao, 2021, Chinese Chemical Letters.

Adsorption and oxidation of NO on various SnO2(1 1 0) surfaces: A density functional theory study

Chaozheng He, Zhansheng Lu, Lin Zhang, 2015 .

A theoretical study of the ability of 2D monolayer Au (111) to activate gas molecules

Chaozheng He, Junwu Zhu, Jingwen Sun, 2021 .

Adsorption and electric field assisted activation of ammonia -borane over BC3 sheet: A computational study

Chaozheng He, Chenxu Zhao, Ling-min Yu, 2021, International Journal of Hydrogen Energy.

Highly active Fe36Co44 bimetallic nanoclusters catalysts for hydrolysis of ammonia borane: The first-principles study

Chaozheng He, Chenxu Zhao, L. Fu, 2022, Chinese Chemical Letters.

Design strategies of two-dimensional metal-organic frameworks toward efficient electrocatalysts for N2 reduction: cooperativity of transition metals and organic linkers.

Chaozheng He, Chenghua Sun, Weixing Chen, 2021, Nanoscale.

Structures and Electronic Properties of Ni–Al Alloy Clusters from First-Principles Calculations

Xiumei Xu, Chaozheng He, C. Pu, 2017, Journal of Cluster Science.

The role of the intrinsic Se and In vacancies in the interaction of O2 and H2O molecules with the InSe monolayer

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2018 .

Theoretical insight into the interaction of O2 and H2O molecules with the perfect and the defective InSe monolayers

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2017, 1705.05140.

Selective conformer detection of short-lived base pair tautomers: A computational study of the unusual guanine-cytosine pairs using ultrafast resonance Raman spectroscopy

Chaozheng He, Shulai Lei, Baoling Tian, 2023, Chinese Chemical Letters.

A review on hydrogen production from ammonia borane: Experimental and theoretical studies

Chaozheng He, Kai Zhang, Chenxu Zhao, 2023, Chinese Chemical Letters.

Mechanism of complete dehydrogenation of ammonia borane in electrochemical alkaline environment

Chaozheng He, Quan Zhang, Jinrong Huo, 2022, Computational Materials Science.

Theoretical Insights into Nonmetal-Doped Graphyne-Supported Noble Metal Electrocatalysts for Nh3 Synthesis Via Nitrogen Reduction

Chaozheng He, Wei-Xin Song, L. Fu, 2023, SSRN Electronic Journal.

Boosting polysulfides immobilization and conversion through CoS2 catalytic sites loaded carbon fiber for robust lithium sulfur batteries.

Chaozheng He, Yan Song, Xiuyuan Li, 2021, Journal of colloid and interface science.

CO catalytic oxidation on Al-doped graphene-like ZnO monolayer sheets: a first-principles study

Chaozheng He, Zhansheng Lu, Tingxian Li, 2015 .

Enhanced Electrocatalytic Activity of Nickel Cobalt Phosphide Nanoparticles Anchored on Porous N-Doped Fullerene Nanorod for Efficient Overall Water Splitting.

Chaozheng He, Jianfeng Huang, Liyun Cao, 2021, ACS applied materials & interfaces.

Mo-Embedded Ir-Based Electrocatalyst for Nitrogen Reduction Reaction: A Computational Study

Chaozheng He, L. Fu, Mengmeng Wang, 2022, SSRN Electronic Journal.

Oriented external electric fields act as a “switch” of Pt-M/BC3N2 diatomic catalysts activate pristine ammonia borane dehydrogenation: a DFT study

Chaozheng He, Chenxu Zhao, L. Fu, 2022, Materials Today Communications.

A computational study of strained MoS2 as catalysts for the electrocatalytic nitrogen reduction reaction

Chaozheng He, Wei-Xin Song, L. Fu, 2022, Journal of Molecular Structure.

First‐Principles Study of 3d Transition Metal Atoms Doped Ni13 Cluster as Efficient Electrocatalyst for Nitrogen Reduction Reaction

Chaozheng He, Yongliang Guo, Wei-Xin Song, 2021, Advanced Theory and Simulations.

First-principles study of two-dimensional material Cr2B2 as catalyst for electrochemical nitrogen reduction reaction

Chaozheng He, Jingwen Sun, Ling‐Xiao Fu, 2021, Journal of Electroanalytical Chemistry.

Predicted a honeycomb metallic BiC and a direct semiconducting Bi2C monolayer as excellent CO2 adsorbents

Chaozheng He, Ling‐Xiao Fu, Jiyuan Guo, 2021, Chinese Chemical Letters.

Principles for designing CO2 adsorption catalyst: Serving thermal conductivity as the determinant for reactivity

Haotian Wang, Chaozheng He, Ling‐Xiao Fu, 2021, Chinese Chemical Letters.

Defect engineering for high-selection-performance of NO reduction to NH3 over CeO2 (111) surface: A DFT study

Chaozheng He, Ling‐Xiao Fu, Sumin Wang, 2021, Chinese Chemical Letters.

Hydrogen generation of ammonia borane hydrolysis catalyzed by Fe22@Co58 core-shell structure

Chaozheng He, Ling-Zhi Fu, Chenxu Zhao, 2021, Chinese Chemical Letters.

The influence of SiC(111) surface with different layers on CH4 adsorption

Chaozheng He, Pengtao Wang, Shaofei Li, 2020 .

Two-dimensional 1T-PS2 as a promising anode material for sodium-ion batteries with ultra-high capacity, low average voltage and appropriate mobility

Chaozheng He, C. Pu, Xin Tang, 2020 .

Prediction of semiconducting SiP2 monolayer with negative Possion’s ratio, ultrahigh carrier mobility and CO2 capture ability

Chaozheng He, Ling-Zhi Fu, Li-ming Li, 2020 .

Adsorption Characteristics of Gas Molecules Adsorbed on Graphene Doped with Mn: A First Principle Study

Chaozheng He, Guo-zheng Zhao, Chenxu Zhao, 2022, Molecules.

Modulating electronic, magnetic and chemical properties of MoS 2 monolayer sheets by substitutional doping with transition metals

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2016 .

CO catalytic oxidation on iron-embedded monolayer MoS2

Chaozheng He, Zhansheng Lu, D. Ma, 2015 .

Rationally designed surfactants for few-layered graphene exfoliation: ionic groups attached to electron-deficient π-conjugated unit through alkyl spacers.

Chaozheng He, L. Dai, Jun Liu, 2014, ACS Nano.

First principles study on the interfacial properties of NM/graphdiyne (NM = Pd, Pt, Rh and Ir): The implications for NM growing

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2016 .

Repairing sulfur vacancies in the MoS2 monolayer by using CO, NO and NO2 molecules

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2016 .

Graphyne as a promising substrate for the noble-metal single-atom catalysts

Gui Yang, Tingxian Li, Chaozheng He, 2015 .

B-Doped 2D-InSe as a bifunctional catalyst for CO2/CH4 separation under the regulation of an external electric field.

Chaozheng He, Chenxu Zhao, Menghui Xi, 2021, Physical chemistry chemical physics : PCCP.

The adsorption of CO and NO on the MoS2 monolayer doped with Au, Pt, Pd, or Ni: A first-principles study

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2016 .

H2S Dissociation on Defective or Strained Fe (110) and Subsequent Formation of Iron Sulfides: A Density Functional Theory Study

Chaozheng He, Zhaohui Zhou, Dajiang Zhu, 2021, Surface Science.

An efficient single atom catalysts Os/P3C sheet for ammonia borane dehydrogenation

Chaozheng He, L. Fu, Quan Zhang, 2022, Chinese Chemical Letters.

NiWO4 Microflowers on Multi-Walled Carbon Nanotubes for High-Performance NH3 Detection.

Yuanjie Su, Chaozheng He, Xiaolan Luo, 2021, ACS applied materials & interfaces.

Magnetic and optical properties of (Mn, Co) co-doped SnO2

Chaozheng He, Long Lin, Jisheng Zhang, 2020 .

Pd1/BN as a promising single atom catalyst of CO oxidation: a dispersion-corrected density functional theory study

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2015 .

3d transition metal embedded C2N monolayers as promising single-atom catalysts: A first-principles study

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2016 .

Novel catalytic activity for oxygen reduction reaction on MnN4 embedded graphene: A dispersion-corrected density functional theory study

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2015 .

Rich B active centers in Penta-B2C as high-performance photocatalyst for nitrogen reduction

Chaozheng He, Weixing Chen, Ran Wang, 2021 .

Capture and separation of CO2 on BC3 nanosheets: A DFT study

Chaozheng He, Ling-Zhi Fu, Yan Song, 2021 .

All Organic S-Scheme Heterojunction PDI-Ala/S-C3N4 Photocatalyst with Enhanced Photocatalytic Performance

Chaozheng He, Xibao Li, Zhijun Feng, 2020, Acta Physico Chimica Sinica.

C3N monolayers as promising candidates for NO2 sensors

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2018, Sensors and Actuators B: Chemical.

Ferromagnetism induced by (Mn, Fe) co-doped 4H–SiC

Chaozheng He, Long Lin, Tong Liang, 2021, Journal of Materials Science: Materials in Electronics.

Shape-dependent photocatalytic activity of Bi5O7I caused by facets synergetic and internal electric field effects

Chaozheng He, Hui Wang, K. Bao, 2014 .

First-principles study of O2 adsorption on Al-doped ZnO(1 0 1¯ 0) surface

Chaozheng He, Zhansheng Lu, Zhi Wang, 2016 .

Pressure-induced phase transition of BiOF: novel two-dimensional layered structures.

Chaozheng He, C. Pu, Cheng Lu, 2015, Physical chemistry chemical physics : PCCP.

Computational Screening of Transition Metal Atom Doped C3n as Electrocatalysts for Nitrogen Fixation

Chaozheng He, W. Zhang, Meng-Pei Jia, 2023, SSRN Electronic Journal.

Selective sensing and mechanism of patterned graphene-based sensors: Experiments and DFT calculations

Chaozheng He, M. Qi, Ye Xiaohui, 2022 .

Platinum adsorption on ceria: A comparative theoretical study of different surfaces

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2017 .

Computational screening of 3d transition metal atoms anchored on the defective graphene for efficient electrocatalytic N2 fixation.

Chaozheng He, Ling-Zhi Fu, Yongliang Guo, 2021, Chemphyschem : a European journal of chemical physics and physical chemistry.

Conversion of Dinitrogen to Ammonia by FeB‑Embedded Graphyne

Chaozheng He, L. Fu, Wei Song, 2021 .

Carbon‐Coordinated Single Cr Site for Efficient Electrocatalytic N2 Fixation

Chaozheng He, Ling-Zhi Fu, Wei-Hao Song, 2021, Advanced Theory and Simulations.

A Theoretical Evaluation of Possible N2 Reduction Mechanism on Mo2B2

Chaozheng He, Chenxu Zhao, L. Fu, 2021, Advanced Theory and Simulations.

Nitrogen Reduction Reaction Catalyzed by Diatomic Metals Supported by N-Doped Graphite

Chaozheng He, Chenxu Zhao, Kai Zhang, 2022, Catalysts.

Potential active sites of Mo single atoms for electrocatalytic reduction of N2

Chaozheng He, Qichen Wang, Y. Lei, 2020 .

MXene-supported NiMn-LDHs as efficient electrocatalysts towards enhanced oxygen evolution reactions

Chaozheng He, Xiaodong Hao, Tao Li, 2022, Materials Advances.

Formaldehyde molecule adsorption on the doped monolayer MoS2: A first-principles study

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2016 .

Computational Design of BC 3N 2 Based Single Atom Catalyst for Dramatic Activation of Inert CO 2 and CH 4 Gases into CH 3COOH with Ultralow CH 4 Dissociation Barrier

Chaozheng He, Chenxu Zhao, Menghui Xi, 2021, SSRN Electronic Journal.

First-principles study on Fe2B2 as efficient catalyst for nitrogen reduction reaction

Chaozheng He, Ling-Zhi Fu, Yongliang Guo, 2021 .

Mechanical and thermodynamic properties of the monoclinic and orthorhombic phases of SiC 2 N 4 under high pressure from first principles

Chaozheng He, C. Pu, Cheng Lu, 2014 .

Ultramicroporous Metal-Organic Framework with Inert Pore Surfaces for Inversed Separation of Ethylene from C2 Hydrocarbons Mixtures.

Chaozheng He, R. Krishna, Xiurong Li, 2023, ACS applied materials & interfaces.

The Investigation of Adsorption Behavior of Gas Molecules on FeN3-Doped Graphene

Chaozheng He, Guo-zheng Zhao, Chenxu Zhao, 2022, J. Sensors.

Synergistic Effect of Multidimensional Carbon Constructs a High-Rate Conductive Pathway in SnSe for Superior Sodium Storage

Chaozheng He, Zhanwei Xu, Jianfeng Huang, 2022, ACS Sustainable Chemistry & Engineering.

Density functional theory study of transition metal single-atoms anchored on graphyne as efficient electrocatalysts for the nitrogen reduction reaction.

Chaozheng He, Ling-Zhi Fu, Yongliang Guo, 2021, Physical chemistry chemical physics : PCCP.

Formaldehyde Molecules Adsorption on Zn Doped Monolayer MoS2: A First-Principles Calculation

Chaozheng He, Ling-Zhi Fu, Guohui Dong, 2021, Frontiers in Chemistry.

Metastable FeCN2@nitrogen-doped carbon with high pseudocapacitance as an anode material for sodium ion batteries.

Chaozheng He, Jianfeng Huang, H. Qi, 2021, Nanoscale.

Two-dimensional MgSiP2 with anisotropic electronic properties and good performances for Na-ion batteries

Chaozheng He, C. Pu, Ling-Zhi Fu, 2020 .

A graphene-like semiconducting BC2P monolayer as a promising material for a Li-ion battery and CO2 adsorbent.

Chaozheng He, Li-ming Li, W. Liao, 2023, Physical chemistry chemical physics : PCCP.

Prediction of stable BC3N2 monolayer from first-principles calculations: Stoichiometry, crystal structure, electronic and adsorption properties

Chaozheng He, C. Pu, Ling-Zhi Fu, 2021 .

Laser-ablated violet phosphorus/graphene heterojunction as ultrasensitive ppb-level room-temperature NO sensor

Chaozheng He, Jinying Zhang, M. Qi, 2023, Chinese Chemical Letters.

The elastic and thermoelectric properties of the Zintl compound Ca5Al2Sb6 under high pressure

Chaozheng He, H. Cui, D. Ma, 2014 .

Investigation and design of high efficiency carbazole-based sensitizers for solar cells: Effect of the nature and length of π-linker

Chaozheng He, Li Wang, Jinglai Zhang, 2015 .

Transition metals embedded Pt (100) surface as an electrocatalysts for NO reduction reaction: A first-principles study

Chaozheng He, Zhanying Zhang, Donglin Pang, 2023, Applied Surface Science.

Multi-interfacial engineering of Coil-like NiS-Ni2P/Ni hybrid to efficiently boost electrocatalytic hydrogen generation in alkaline and neutral electrolyte

Chaozheng He, Zhongkui Zhao, Chaofan Zhang, 2022, Journal of Materials Chemistry A.

A periodic DFT study on adsorption of small molecules (CH4, CO, H2O, H2S, NH3) on the WO3 (001) surface-supported Au

Chaozheng He, Pengtao Wang, Yong-Kai Xu, 2020, Communications in Theoretical Physics.

The growth pattern of Ptn (n = 1–6) clusters on pentagonal B2C monolayer support: A computational study

Chaozheng He, Ling-Zhi Fu, Ran Wang, 2020 .

First-principles study of magnetism of 3d transition metals and nitrogen co-doped monolayer MoS2

Chaozheng He, Long Lin, H. Tao, 2020, Chinese Physics B.

Electric field controlled CO2 capture and activation on BC6N monolayers: A first-principles study

Chaozheng He, Chenxu Zhao, Ling-min Yu, 2022, Surfaces and Interfaces.

Epoxidation of O2 and C3H6 on M1/PTA Single-Atom Catalyst: Theory and Calculation Simulations

Chaozheng He, Jinrong Huo, Quan Zhang, 2023, Social Science Research Network.

Vapor sorption behavior in heptazine-based MOF featuring a brick-shaped framework

Chaozheng He, Xiurong Li, Ying-Bo Wang, 2022, Journal of Solid State Chemistry.

Sulfur doped graphene as a promising metal-free electrocatalyst for oxygen reduction reaction: a DFT-D study

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2017 .

Reversible active bridging sulfur sites grafted on Ni3S2 nanobelt arrays for efficient hydrogen evolution reaction.

Chaozheng He, Qianqian Liu, Jianfeng Huang, 2023, Journal of colloid and interface science.

Interaction between the small gas molecules and the defective WSe2 monolayer

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2017, 1706.04577.

Oxygen vacancy-engineered ultrathin Bi24O31Br10 for visible light-driven CO2 reduction with nearly 100% CO selectivity in pure water

Chaozheng He, Xiaoran Sun, Jiwen Li, 2023, Chemical Engineering Journal.

Enhancing the reactivity of CO2 conversion to hydrocarbons by modulating the electron properties of carbon nanotube based single atom catalysts with curvature effect

Chaozheng He, Chenxu Zhao, Yue Yu, 2023, Vacuum.

Turning the V site in V@2D-BC3N2 complex to high curvature state for efficient CO2 electroreduction to hydrocarbons

Chaozheng He, Yue Yu, Chenxu Zhao, 2022, Chinese Chemical Letters.

Rationally designed surfactants for few-layered graphene exfoliation: ionic groups attached to electron-deficient π-conjugated unit through alkyl spacers.

Chaozheng He, L. Dai, Jun Liu, 2014, ACS nano.

Tunable electronic and magnetic properties of planar and corrugated phases of two-dimensional metal-organic frameworks.

Chaozheng He, Weixing Chen, Randy K. Wang, 2023, Nanoscale.

Increasing Oxygen Vacancy of CeO2 Nanocrystals by Ni Doping and reduced Graphene Oxides Decoration towards the Electrocatalytic Hydrogen Evolution

Chaozheng He, Shufang Ma, Xiaodong Hao, 2022, CrystEngComm.

The mechanism of oxygen activation on single Pt-atom doped SnO2(110) surface

Chaozheng He, Zongxian Yang, Zhansheng Lu, 2016, Journal of Materials Science.