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Structures and energetics of multiple helium atoms in a tungsten monovacancy

 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 561
作者:  Song, Chi;  Hou, Jie;  Kong, Xiang-Shan;  Chen, L.;  Wang, Sake
收藏  |  浏览/下载：13/0  |  提交时间：2022/12/23
Aggregation of retained helium and hydrogen in titanium beryllide Be12Ti: a first-principles study 期刊论文
RSC ADVANCES, 2021, 卷号: 11, 期号: 55, 页码: 34860-34869
作者:  Wang, Yinlong;  Wang, Canglong;  Meng, Zhaocang;  Liu, Jitao;  Li, Yuhong
收藏  |  浏览/下载：25/0  |  提交时间：2021/12/08
Stability and Catalytic Performance of Single-Atom Catalysts Supported on Doped and Defective Graphene for CO2 Hydrogenation to Formic Acid: A First-Principles Study 期刊论文
ACS APPLIED NANO MATERIALS, 2021, 卷号: 4, 期号: 7, 页码: 6893-6902
作者:  Ali, Sajjad;  Iqbal, Rashid;  Khan, Azim;  Rehman, Shafiq Ur;  Haneef, Muhammad
收藏  |  浏览/下载：60/0  |  提交时间：2021/10/15
Unraveling the formation mechanism of hydrogenated vacancy at gamma-Ni/gamma '-Ni3Al phase interface and its roles in interfacial stability and strength 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 194
作者:  Xue, Hong-Tao;  Li, Ji-Zheng;  Tang, Fu-Ling;  Lu, Xue-Feng;  Ren, Jun-Qiang
收藏  |  浏览/下载：2/0  |  提交时间：2021/10/14
Unraveling the formation mechanism of hydrogenated vacancy at γ-Ni/γ'-Ni3Al phase interface and its roles in interfacial stability and strength 期刊论文
Computational Materials Science, 2021, 卷号: 194
作者:  Xue, Hong-Tao;  Li, Ji-Zheng;  Tang, Fu-Ling;  Lu, Xue-Feng;  Ren, Jun-Qiang
收藏  |  浏览/下载：20/0  |  提交时间：2022/02/17
First-principles investigation of oxygen interaction with hydrogen/helium/vacancy irradiation defects in Ti3AlC2 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 卷号: 23, 期号: 9, 页码: 5340-5351
作者:  Meng, Zhaocang;  Wang, Canglong;  Liu, Jitao;  Wang, Yinlong;  Zhu, Xiaolu
收藏  |  浏览/下载：27/0  |  提交时间：2021/12/10
First-principles study of hydrogen trapping behavior in face centered cubic metals (M=Ni, Cu and Al) with monovacancy 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2020, 卷号: 45, 期号: 46, 页码: 25555-25566
作者:  Xing, Weiwei;  Chen, Xing-Qiu;  Li, Xiaobing;  Ma, Yingche;  Chen, Bo
收藏  |  浏览/下载：124/0  |  提交时间：2021/02/02
New insight into the interaction between divacancy and H/He impurity in Ti(3)AlC(2)using first-principles studies 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 32, 页码: 18040-18049
作者:  Meng, Zhaocang;  Wang, Canglong;  Liu, Jitao;  Wang, Yinlong;  Zhu, Xiaolu
收藏  |  浏览/下载：18/0  |  提交时间：2021/12/15
The catalytic performance of metal-free defected carbon catalyst towards acetylene hydrochlorination revealed from first-principles calculation 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2020, 页码: 8
作者:  Ali, Sajjad;  Khan, Muhammad Baber Azam;  Khan, Said Alam;  Noora
收藏  |  浏览/下载：22/0  |  提交时间：2021/02/02
Atomistic simulations of the interactions between the 1/2 {110} edge dislocations and the intrinsic point defects in tungsten 期刊论文
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2019, 卷号: 459, 页码: 59-63
作者:  Li, Bingchen;  Jin, Shuo;  Xu, Ke;  Hao, Jiannan;  Shu, Xiaolin
收藏  |  浏览/下载：9/0  |  提交时间：2019/12/30

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