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	First-principles study on the Te/Po doped SrTiO3 (100) surface for photocatalytic overall water splitting to produce hydrogen 期刊论文 SURFACES AND INTERFACES, 2024, 卷号: 51, 页码: 104645 Authors:  Wang, Fei;  Yang, Chuan-Lu;  Li, Xiao-Hu;  Liu, Yu-Liang;  Zhao, Wen-Kai Adobe PDF(4719Kb)  |  Favorite  |  View/Download：6/1  |  Submit date：2024/08/19 Hydrogen evolution reaction  Dope  Photocatalytic  Water splitting  Gibbs free energy
	Four-component full relativistic study on the spectroscopic properties and direct laser cooling schemes for the PbH, PoH, BiH+, and AtH+ molecules 期刊论文 JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2024, 卷号: 321, 页码: 109001 Authors:  Luan, Jing-Zhen;  Yang, Chuan-Lu;  Li, Xiao-Hu;  Zhao, Wen-Kai;  Liu, Yu-Liang Adobe PDF(6256Kb)  |  Favorite  |  View/Download：4/0  |  Submit date：2024/07/02 Spin-orbit coupling  Relativistic  Frank-Condon factor  Laser cooling  ab initio calculation
	Exploring the impacts of Li and He impurities in a tungsten matrix: A First-Principles study 期刊论文 NUCLEAR MATERIALS AND ENERGY, 2024, 卷号: 39, 页码: 101632 Authors:  Liang, Jia-Cheng;  Yang, Chuan-Lu;  Wang, Xue-Lin Adobe PDF(5774Kb)  |  Favorite  |  View/Download：5/0  |  Submit date：2024/05/23 Plasma -facing materials  Impurity  Self -trapping  Mechanical properties  First -principles
	Photocatalytic Z-scheme overall water splitting for hydrogen generation with Sc2CCl2/ML (ML=MoTe2, Hf2CO2) heterostructures 期刊论文 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 59, 页码: 214-223 Authors:  Li, Xiao-Ting;  Yang, Chuan-Lu;  Zhao, Wen-Kai;  Liu, Yu-Liang Adobe PDF(7736Kb)  |  Favorite  |  View/Download：4/0  |  Submit date：2024/05/23 Heterostructure  Solar-to-hydrogen efficiency  Carrier transfer  Electron-hole recombination  Hydrogen generation  Thermodynamic feasibility
	Spectroscopic properties and laser cooling feasibility with the X12Π1/2 ? X22Π3/2 transition for the PbX (X = F, Cl, Br, and I) molecules 期刊论文 PHYSICA SCRIPTA, 2024, 卷号: 99, 期号: 3, 页码: 035406 Authors:  Luan, Jing-Zhen;  Yang, Chuan-Lu;  Li, Xiaohu;  Liu, Wen-Wang;  Liu, Yu-Liang;  Zhao, Wen-Kai Adobe PDF(1569Kb)  |  Favorite  |  View/Download：2/0  |  Submit date：2024/03/14 spin-orbit coupling  relativistic  Frank-Condon factor  laser cooling  KRCI
	Hydrogen production of overall water splitting with direct Z-scheme driven by antimonene and arsenide nanoribbon heterostructures: Insight from electronic properties and carrier nonadiabatic dynamics 期刊论文 JOURNAL OF POWER SOURCES, 2024, 卷号: 594, 页码: 234045 Authors:  Liu, Miao;  Yang, Chuan-Lu;  Li, Yongqing;  Wang, Mei-Shan;  Ma, Xiao-Guang Adobe PDF(7372Kb)  |  Favorite  |  View/Download：6/0  |  Submit date：2024/03/14 Interlayer transfer  Z-scheme  Nanoribbon heterostructures  Photocatalytic water splitting  Nonadiabatic dynamics
	Insights into Photogenerated Carrier Dynamics and Overall Water Splitting of the CrS3/GeSe Heterostructure 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2023, 卷号: 14, 期号: 40, 页码: 9126-9135 Authors:  Wan, Xue-Qing;  Yang, Chuan-Lu;  Li, Xiao-Hu;  Wang, Mei-Shan;  Ma, Xiao-Guang Adobe PDF(11657Kb)  |  Favorite  |  View/Download：6/0  |  Submit date：2024/01/10