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First-principles insights into the stability and mechanical properties of four typical tantalum carbides 期刊论文
VACUUM, 2025, 卷号: 234, 页码: 8
作者:  Yang, Guang;  Zhang, Wenyu;  Ma, Shangyi;  Li, Yunfei;  Jiang, Tao;  Qi, Yang
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Tantalum carbides  Mechanical properties  Formation free energy  Thermal stability  
Investigations on the crystallographic stacking disordering and properties of novel Ga-containing in-plane chemically ordered (Cr2/3R1/3)2GaC (R=Y, Tb- Lu) i-MAX phases 期刊论文
ACTA MATERIALIA, 2024, 卷号: 277, 页码: 10
作者:  Chong, He;  Wang, Chaobo;  Guo, Hongyun;  Sun, Shuli;  Gong, Weijiang;  Fu, Xiaoxiao;  Huang, Xiaoxu;  Ma, Shangyi;  Liu, Gang;  Wang, Qiang;  Cui, Weibin
收藏  |  浏览/下载：3/0  |  提交时间：2025/04/27
i-MAX phase  Rare-earth  High-density sliding  Mechanical properties  
Reducing the vacancies associated with ferroelectric polarization to promote photocatalytic overall water splitting 期刊论文
SCIENCE CHINA-CHEMISTRY, 2024, 页码: 7
作者:  Qi, Haozhi;  Kang, Yuyang;  Liu, Jian-An;  Yin, Lichang;  Zhang, Wenyu;  Ma, Shangyi;  Qiu, Jianhang;  Li, Lingli;  Hu, Weijin;  Wang, Lianzhou;  Liu, Gang
收藏  |  浏览/下载：3/0  |  提交时间：2025/04/27
PbTiO3  ferroelectric polarization  vacancy defect  element doping  photocatalytic overall water splitting  
Effective nitrogen doping of TiO 2 polymorphs at mild temperatures for visible-light-responsive hydrogen evolution 期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2024, 卷号: 664, 页码: 640-649
作者:  Chen, Yaping;  Ma, Shangyi;  Yang, Yongqiang;  Qiu, Jianhang;  Kang, Xiangdong;  Ab, Gang Liu
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Visible light absorption  Band engineering  Dope  Charge transfer  Visible light responsiveness  
Na/Mo co-doped PbTiO3 for photocatalytic water oxidation and Z-scheme overall water splitting under visible light 期刊论文
CHEMICAL COMMUNICATIONS, 2024, 卷号: 60, 期号: 48, 页码: 6198-6201
作者:  Qi, Haozhi;  Kang, Yuyang;  Qiu, Jianhang;  Zhang, Wenyu;  Ma, Shangyi;  Wang, Lianzhou;  Liu, Gang
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Na/Mo co-doped PbTiO3 for photocatalytic water oxidation and Z-scheme overall water splitting under visible light 期刊论文
CHEMICAL COMMUNICATIONS, 2024, 卷号: 60, 期号: 48, 页码: 6198-6201
作者:  Qi, Haozhi;  Kang, Yuyang;  Qiu, Jianhang;  Zhang, Wenyu;  Ma, Shangyi;  Wang, Lianzhou;  Liu, Gang
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Theoretical insights into the stability of buckled tetragonal graphene and the prediction of novel carbon allotropes 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 25, 期号: 18, 页码: 13116-13125
作者:  Cheng, Chao;  Zhang, Xin;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：5/0  |  提交时间：2024/01/07
The role of phonon anharmonicity on the structural stability and phonon heat transport of CrFeCoNiCux high-entropy alloys at finite temperatures 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2023, 卷号: 935, 页码: 13
作者:  Cheng, Chao;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：54/0  |  提交时间：2023/05/09
High-entropy alloys  Phonon unfolding  Anharmonic phonon scattering  Structural stability  Lattice thermal conductivity  
The role of phonon anharmonicity on the structural stability and phonon heat transport of CrFeCoNiCux high-entropy alloys at finite temperatures 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2023, 卷号: 935, 页码: 13
作者:  Cheng, Chao;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：49/0  |  提交时间：2023/05/09
High-entropy alloys  Phonon unfolding  Anharmonic phonon scattering  Structural stability  Lattice thermal conductivity  
Effect of grain boundary atomic density and temperature on < 110 > symmetric tilt grain boundaries in tungsten: An atomistic study 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2023, 卷号: 574, 页码: 11
作者:  He, Hong;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：44/0  |  提交时间：2023/05/09
Grain boundaries  Tungsten  Grain boundary atomic density  Molecular dynamics simulation