研究论文
Strain-enhanced properties of Janus Si2PAs monolayer as a promising photocatalyst for the splitting of water: Insights from first-principles calculations
Gang Guo, Siyi Tan, Gencai Guo, Zhong-Xiang Xie
Xiangtan University Hunan Institute of Technology
来源Colloids and Surfaces A Physicochemical and Engineering Aspects
年份2022
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材料 / 化学2D Materials and Applications
Advanced Photocatalysis Techniques · Machine Learning in Materials Science
参考文献 64
Phonons and related crystal properties from density-functional perturbation theory
被引 10,099Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso · Reviews of Modern Physics · 2001
Single layer lead iodide: computational exploration of structural, electronic and optical properties, strain induced band modulation and the role of spin–orbital-coupling
被引 99Mei Zhou, Wenhui Duan, Ying Ian Chen · Nanoscale · 2015
From ultrasoft pseudopotentials to the projector augmented-wave method
被引 85,656Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999
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引用本文 37
First-principles study on the optoelectronic and photocatalytic properties of the C2h-Janus Al2XY(X/Y S, Se and Te) monolayers
被引 42Gang Guo, Yong Liang Zhou, Gencai Guo · Materials Today Chemistry · 2024
First-principles study on the structural, mechanical and optoelectronic properties of the hydrogenated and fluorinated dumbbell silicene monolayers and their vertical heterostructures
被引 35Gang Guo, Gang Guo, Fuming Du · Chinese Journal of Physics · 2024
Chemical functionalization induced photocatalytic performance for water splitting of silicene: A first-principles investigation
被引 35Gang Guo, Jingzhong Liu, Yajuan Xu · Colloids and Surfaces A Physicochemical and Engineering Aspects · 2023
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