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Xinhui Zhang

affiliation not provided to SSRN

  • affiliation not provided to SSRN

SCHOLARLY PAPERS

12

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431

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Scholarly Papers (12)

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1.

Nitrogen-Doped or Boron-Doped Twin T-Graphene as Advanced and Reversible Hydrogen Storage Media

Number of pages: 24 Posted: 15 Dec 2022
Feng Chen, Xinhui Zhang, Xiaoning Guan, Shuli Gao, Jinbo Hao, Long Li, Yazhao Yuan, Chunling Zhang, Wen Chen and Pengfei Lu
affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and Beijing University of Posts and Telecommunications
Downloads 72 (875,328)

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Hydrogen storage, DFT, Twin T-graphene, Nitrogen or boron doped

2.

Tm-N4 Doped in 4,6,8-Biphenylene as an Efficient Trifunctional Electrocatalyst for Oxygen Reduction Reaction, Oxygen Evolution Reaction and Hydrogen Evolution Reaction

Number of pages: 40 Posted: 11 Nov 2024
Feng Chen, Xinhui Zhang, Baonan Jia, Chunling Zhang, Ge Wu, Yazhao Yuan, Yirong Ma, Yuanzi Li, Jinkang Yu, Xiaoning Guan and Jinbo Hao
affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications and affiliation not provided to SSRN
Downloads 61 (951,658)

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4, 6, 8-biphenylene, Single-atom catalysts, Trifunctional electrocatalyst, Oxygen Reduction Reaction, Oxygen Evolution Reaction, hydrogen evolution reaction

3.

Energy Storage Mechanism and High-Performance Anode Potential of T-Carbon [110] as Anode for Na/K Batteries

Number of pages: 31 Posted: 09 Oct 2025
Changcheng Chen, Xiongfei Yun, Xinhui Zhang, Chunling Zhang, Zhengjun Wang, Xiaoning Guan, Jiangzhou Xie, Yaxin Xu, Gang Liu and Pengfei Lu
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, University of New South Wales (UNSW), affiliation not provided to SSRN, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 56 (1,010,164)

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Carbon-based 2D material, Sodium-ion battery, Potassium-ion battery, anode material, First-principles calculations.

4.

Two-Dimensional Alloying Mns4 (M, N= Mn, Fe, Co, Ni, Pd) Materials with Pentagonal Pucker for Highly Efficient Electrocatalytic Hydrogen Reaction

Number of pages: 17 Posted: 26 Sep 2022
Zhengqin Zhao, Jinbo Hao, Baonan Jia, Xinhui Zhang, Long Li, Wen Chen, Ge Wu, Chunling Zhang and Pengfei Lu
affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and Beijing University of Posts and Telecommunications
Downloads 52 (1,074,648)

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Chalcogenides, Hydrogen evolution reaction, Electrocatalysis, First-principles calculation

5.

First-Principles Investigation of Lead-Free Vacancy-Ordered Double Perovskites Cs2BX6 (B = Ti, Zr, Hf; X = I, Cl): Bandgap Engineering and Full-Spectrum Optoelectronic Applications

Downloads 47 (1,548,648)

First-Principles Investigation of Lead-Free Vacancy-Ordered Double Perovskites Cs2BX6 (B = Ti, Zr, Hf; X = I, Cl): Bandgap Engineering and Full-Spectrum Optoelectronic Applications

Number of pages: 33 Posted: 18 Jun 2026
Changcheng Chen, Yunpu Wen, Jingwen Deng, Ruixin Tu, Xinhui Zhang, Chunling Zhang, Yaxin Xu, Jiangzhou Xie, Gang Liu, Xiaoning Guan, Pengfei Lu and Meng Bao
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and affiliation not provided to SSRN
Downloads 31

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Double perovskites, Bandgap Engineering, optoelectronic properties, Mechanical properties, Optoelectronic devices

First-Principles Investigation of Lead-Free Vacancy-Ordered Double Perovskites Cs2BX6 (B = Ti, Zr, Hf; X = I, Cl): Bandgap Engineering and Full-Spectrum Optoelectronic Applications

Number of pages: 33 Posted: 30 May 2026
Changcheng Chen, Meng Bao, Yunpu Wen, Jingwen Deng, Ruixin Tu, Xinhui Zhang, Chunling Zhang, Yaxin Xu, Jiangzhou Xie, Gang Liu, Xiaoning Guan and Pengfei Lu
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 16 (1,614,412)

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Double perovskites, Bandgap engineering, Optoelectronic properties, Mechanical properties, Optoelectronic devices

6.

Infrared Window Properties of Ab2c4 (A=Zn; B=In, Ga; C=Te, Se) Materials Via Machine Learning and Density Functional Theory

Number of pages: 38 Posted: 13 Aug 2025
Changcheng Chen, Chunlian Xiong, Xinhui Zhang, Chunling Zhang, Yue Cheng, Weijun Wang, Wenkang Yu, Xunzhe Zhang, Jinkang Yu, Zhengjun Wang, Xiaoning Guan, Jiangzhou Xie, Yaxin Xu, Gang Liu and Pengfei Lu
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, University of New South Wales (UNSW), affiliation not provided to SSRN, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 27 (1,385,945)

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Infrared window material, Machine learning, DFT calculation, Optical Properties, Mechanical stability.

7.

Study on Anti-counterfeiting Properties Based on Green-light-emitting Lead-Free Double Perovskite Cs 2 A(I)A'(III)X 6

Downloads 26 (1,500,778)

Study on Anti-counterfeiting Properties Based on Green-light-emitting Lead-Free Double Perovskite Cs 2 A(I)A'(III)X 6

Number of pages: 32 Posted: 15 May 2026
Ruixin Tu, Changcheng Chen, Jingwen Deng, Yunpu Wen, Meng Bao, Xinhui Zhang, Chunling Zhang, Yaxin Xu, Jiangzhou Xie, Gang Liu, Xiaoning Guan and Pengfei Lu
affiliation not provided to SSRN, Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 21 (1,559,710)

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Lead-free double perovskites, First-principles calculations, Anisotropy inversion, Dynamic anti-counterfeiting, Mechanical properties.

Study on Anti-counterfeiting Properties Based on Green-light-emitting Lead-Free Double Perovskite Cs 2 A(I)A'(III)X 6

Number of pages: 40 Posted: 03 Jun 2026
Ruixin Tu, Changcheng Chen, Jingwen Deng, Yunpu Wen, Meng Bao, Xinhui Zhang, Chunling Zhang, Yaxin Xu, Jiangzhou Xie, Gang Liu, Xiaoning Guan and Pengfei Lu
affiliation not provided to SSRN, Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 5

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Lead-free double perovskites, First-principles calculations, Anisotropy inversion, Dynamic anti-counterfeiting, Mechanical properties.

8.

Computational Study of Ca2in4x8 (X = Te, Se, S) Properties Via Density Functional Theory

Number of pages: 21 Posted: 16 Jul 2025
Changcheng Chen, Yue Cheng, Shuaikang Zhang, Kunzhuo Zhao, Zhengjun Wang, Xinhui Zhang, Chunling Zhang, Xiaoning Guan, Jiangzhou Xie, Yaxin Xu, Gang Liu, Pengfei Lu, Wenbin Zhu and Beitong Cheng
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, University of New South Wales (UNSW), affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications, affiliation not provided to SSRN and Southwestern Institute of Physics
Downloads 25 (1,411,822)

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Lead-free perovskites, Ca2In4X8 (X=S, Se, Te), First-principles calculations, density functional theory, Photoelectric conversion.

9.

Study on the Material Properties of AB2C4 (A=Mg; B=In, Ga; C=Te, Se) Near Infrared Materials Based on Machine Learning and Density Functional Theory

Number of pages: 26 Posted: 20 Jan 2026
Changcheng Chen, Ruixin Tu, Chunlian Xiong, Jingwen Deng, Meng Bao, Yunpu Wen, Yaxin Xu, Xinhui Zhang, Chunling Zhang, Jiangzhou Xie, Gang Liu, Xiaoning Guan and Pengfei Lu
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of New South Wales (UNSW), Beijing University of Posts and Telecommunications, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 23 (1,470,786)

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Near-infrared photovoltaic materials, Machine learning, DFT calculation, Transmittance.

10.

Transition Metal Embedded in Two-Dimensional Bi-Bn as High Activity Single Atom Electrocatalyst for Oxygen Reduction Reactions

Number of pages: 20 Posted: 02 May 2023
Feng Chen, Xinhui Zhang, Baonan Jia, Jinbo Hao, Chunling Zhang, Ge Wu, Yazhao Yuan, Yirong Ma, Yuanzi Li and Pengfei Lu
affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and Beijing University of Posts and Telecommunications
Downloads 22 (1,424,331)

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Oxygen reduction reaction, transition metal doping, boron nitride compound, single atom electrocatalyst, first-principles theory

11.

Janus Msigez4 as Efficient Photocatalysts for Visible-Light Driven Spontaneous Oxygen Evolution Reaction: High-Throughput Screening and Dft Calculations

Number of pages: 45 Posted: 08 Aug 2025
Chunling Zhang, Xunzhe Zhang, Baonan Jia, Xinhui Zhang, Changcheng Chen, Jinkang Yu, Ge Wu, Jinbo Hao and Pengfei Lu
affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, affiliation not provided to SSRN, Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and Beijing University of Posts and Telecommunications
Downloads 13 (1,518,554)

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Janus MSiGeZ4, Photocatalysis, spontaneous OER, high-throughput screening

12.

Bonding-Driven Valley Reordering in Ternary Chalcogenides A(InS₂)₂ (A=Be, Mg, Ca) Revealed by Machine Learning and First-Principles Calculations

Number of pages: 38 Posted: 30 Jun 2026
Changcheng Chen, Yue Cheng, Chunlian Xiong, Xinhui Zhang, Chunling Zhang, Weijun Wang, Wenkang Yu, Xunzhe Zhang, Jinkang Yu, Zhengjun Wang, Gang Liu, Jiangzhou Xie, Yaxin Xu, Xiaoning Guan and Pengfei Lu
Xi’an University of Architecture and Technology, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications, University of New South Wales (UNSW), affiliation not provided to SSRN, Beijing University of Posts and Telecommunications and Beijing University of Posts and Telecommunications
Downloads 7

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machine learning, DFT Calculation, Ternary chalcogenides, Valley engineering, Bonding-driven mechanism.