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Two-dimensional Pt@g-C3N4/ReS2 Van Der Waals Heterostructure for photocatalytic hydrogen evolution with direct Z-scheme 期刊论文
CHEMICAL PHYSICS LETTERS, 2025, 卷号: 870, 页码: 142101
Authors:  Wang, Hong-Yao;  Yang, Chuan-Lu;  Li, Xiaohu;  Liu, Yuliang;  Zhao, Wenkai;  Gao, Feng
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Heterostructure  Photocatalytic  Direct Z -scheme  Solar-to-hydrogen  Gibbs free energy  
Novel X@g-C3N4/GaP3 (X = S, Se) heterostructures for photocatalytic overall water splitting with Z-scheme 期刊论文
APPLIED SURFACE SCIENCE, 2025, 卷号: 685, 页码: 162045
Authors:  Shi, Wen-Jie;  Yang, Chuan-Lu;  Li, Xiaohu;  Liu, Yuliang;  Zhao, Wenkai
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Z -scheme  Doped heterostructure  Non-adiabatic  Water splitting  Photocatalytic  
Tactfully regulating the ESIPT mechanism of novel benzazolyl-4-quinolones fluorophore by atomic electronegativity 期刊论文
CHEMICAL PHYSICS, 2025, 卷号: 590, 页码: 112545
Authors:  Zhang, Qingqing;  Li, Shun;  Yuan, Saifei;  Qiu, Xiaole;  Yang, Chuan-Lu
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Atomic electronegativity  Excited state intramolecular proton transfer  Hydrogen bond  Potential energy curve  Energy barrier  
Tl2XY (X, Y = S, Se) monolayers with low lattice thermal conductivity and high thermoelectric performance by full-band approach with four scattering mechanisms 期刊论文
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2025, 卷号: 58, 期号: 4, 页码: 045506
Authors:  Yu, Meng-Yuan;  Yang, Chuan-Lu;  Li, Xiaohu;  Liu, Yuliang;  Zhao, Wenkai
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multiple scattering  carrier transport  thermoelectric properties  bipolar effect  full-band  
Photocatalytic Z-Schemes for the Overall Water Splitting to Produce Hydrogen with ZnAl2Se4/XSe2 (X= Ti, Zr, Hf) Heterostructures 期刊论文
SURFACES AND INTERFACES, 2025, 卷号: 56, 页码: 105661
Authors:  Sun, Hao;  Yang, Chuanlu;  Li, Xiaohu
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Heterostructure  Solar-to-hydrogen  Photocatalysis  Water splitting  Nonadiabatic dynamics  
Superconductivity of the two-dimensional MB2C2 (M = 3d, 4d) monolayers 期刊论文
MATERIALS TODAY COMMUNICATIONS, 2025, 卷号: 42, 页码: 111207
Authors:  Wu, Shan-Shan;  Yang, Chuan-Lu;  Li, Xiaohu;  Liu, Yuliang;  Zhao, Wenkai;  Gao, Feng
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Superconducting transition temperature  Two-dimensional superconductor  Migdal-Eliashberg equation  Superconducting gap  Electron-phonon coupling  
Manipulate photocatalytic overall water splitting performance of the Sc2CCl2/SiSe heterostructure by S impurity: Insight from Gibbs free energy and carrier nonadiabatic dynamics 期刊论文
APPLIED SURFACE SCIENCE, 2024, 卷号: 678, 页码: 161057
Authors:  Liu, Miao;  Yang, Chuan-Lu;  Li, Xiaohu;  Zhao, Wenkai;  Li, Yongqing
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Impurity  vdW heterostructure  Proceed spontaneously  Photocatalytic overall water splitting  Nonadiabatic dynamic  
AAl2Se4/XSe2 (A= Cd, Hg; X= Ti, Zr, Hf) heterostructures for photocatalytic overall water splitting with Z-scheme: Insight from nonadiabatic dynamics simulation and Gibbs free energy 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 92, 页码: 124-135
Authors:  Sun, Hao;  Yang, Chuan-Lu;  Li, Xiaohu;  Liu, Yuliang;  Zhao, Wenkai
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Solar-to-hydrogen  Photocatalytic  Direct Z -scheme  Gibbs free energy  Nonadiabatic dynamics  
Photocatalytic overall water splitting Z-schemes for hydrogen production with the X@CTF-0/β-Sb (X = S, Se) heterostructures 期刊论文
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2024, 卷号: 703, 页码: 135437
Authors:  Sun, Qing-Guo;  Yang, Chuan-Lu;  Li, Xiaohu;  Liu, Yuliang;  Zhao, Wenkai;  Ma, Xiaoguang
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Covalent triazine-based frameworks  Z -scheme  Solar-to-hydrogen  Heterostructures  Nonadiabatic molecular dynamics  
Newfound 2D In2S3 allotropy monolayers for efficient photocatalytic overall water splitting to produce hydrogen 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 89, 页码: 1185-1195
Authors:  Zhan, Li-Bo;  Yang, Chuan-Lu;  Li, Xiao-Hu;  Liu, Yu-Liang;  Zhao, Wen-Kai
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Screening  Band edges  Overpotential  Monolayer  Overall water splitting  Photocatalysis