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Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
作者:  Tan, Yongkang;  Tao, Xiaoma;  Ouyang, Yifang;  Peng Q(彭庆)
收藏  |  浏览/下载:2/0  |  提交时间:2024/02/05
Thermoelectric Properties of Mg3(Bi,Sb)2 under Finite Temperatures and Pressures: A First-Principles Study 期刊论文
NANOMATERIALS, 2024, 卷号: 14, 期号: 1, 页码: 17
作者:  Peng Q(彭庆);  Ma, Xinjie;  Yang, Xiaoyu;  Yuan XZ(袁晓泽);  Chen, XiaoJia
收藏  |  浏览/下载:0/0  |  提交时间:2024/02/19
Lattice Thermal Conductivity of Mg3(Bi,Sb)2 Nanocomposites: A First-Principles Study 期刊论文
NANOMATERIALS, 2023, 卷号: 13, 期号: 22, 页码: 12
作者:  Peng, Qing;  Yuan, Xiaoze;  Zhao, Shuai;  Chen, Xiao-Jia
收藏  |  浏览/下载:0/0  |  提交时间:2024/01/08
Assessing Effects of van der Waals Corrections on Elasticity of Mg3Bi2-xSbx in DFT Calculations 期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 19, 页码: 15
作者:  Peng, Qing;  Ma, Xinjie;  Yang, Xiaoyu;  Zhao, Shuai;  Yuan, Xiaoze
收藏  |  浏览/下载:7/0  |  提交时间:2023/11/13
Near-Neighbor Electron Orbital Coupling Effect of Single-Atomic-Layer Au Cluster Intercalated Bilayer 2H-TaS2 for Surface Enhanced Raman Scattering Sensing 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2023, 卷号: 14
作者:  Weng, Shirui;  Chu, Wenjun;  Zhu, Huaze;  Li, Junxiang;  Dong, Ronglu
收藏  |  浏览/下载:6/0  |  提交时间:2023/11/10
Hydrogen trapping in vanadium carbide alloyed with transition metals 期刊论文
NUCLEAR MATERIALS AND ENERGY, 2023, 卷号: 36, 页码: 11
作者:  Tang, Shuai;  Li, Linxian;  Yan, Haile;  Jin, Jianfeng;  Peng, Qing
收藏  |  浏览/下载:6/0  |  提交时间:2023/11/28
Activated dissociation of H2 on the Cu(001) surface: The role of quantum tunneling 期刊论文
CHINESE PHYSICS B, 2023, 卷号: 32
作者:  Yu, Xiaofan;  Tong, Yangwu;  Yang, Yong
收藏  |  浏览/下载:3/0  |  提交时间:2023/11/10
Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 226, 页码: 112260
作者:  Peng Q(彭庆);  Yuan XZ(袁晓泽);  Zhao S(赵帅);  Zhou, Yuwei;  Wen, Xiaodong
收藏  |  浏览/下载:8/0  |  提交时间:2023/07/17
Calculation and prediction of sliding energy barriers by ffrst-principles combined with machine learning 期刊论文
Ceramics International, 2023, 期号: 49, 页码: 24752–24761
作者:  Yuan Niu;  Yun Wang;  Minjuan He;  Wenhao He;  Zhenghua Zha
收藏  |  浏览/下载:1/0  |  提交时间:2024/01/02
Unconventional energetics of small vacancy clusters in BCC high-entropy alloy Nb0.75ZrTiV0.5 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 146, 页码: 61-71
作者:  Shi, Tan;  Qiu, Xi;  Zhou, Yundi;  Lyu, Sixin;  Li, Jing
收藏  |  浏览/下载:87/0  |  提交时间:2023/06/15


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