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CORC

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Estimates of chlorine isotope fractionation factors using density functional theory: Applications to ore-forming systems 期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2024, 卷号: 367, 页码: 1-15
作者:  Zhang, Miao-Miao;  Wei, Hai-Zhen;  Lu, Jian-Jun;  Williams-Jones, A. E.;  Eastoe, C. J.
收藏  |  浏览/下载：1/0  |  提交时间：2024/05/15
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：3/0  |  提交时间：2024/02/05
Diffusion and incidence of helium on tungsten surface 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2023, 卷号: 586
作者:  Wang, Jinlong;  Guo, Jinmin;  He, Bingling;  Liu, Daping;  Pan, Xin-Dong
收藏  |  浏览/下载：11/0  |  提交时间：2023/11/10
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：5/0  |  提交时间：2023/11/10
Combining experimental analyses and molecular dynamics simulations in impurity removal at the Si/slag interface 期刊论文
METALLURGICAL RESEARCH & TECHNOLOGY, 2023, 卷号: 120, 期号: 4, 页码: 11
作者:  Liu, Yubao;  Guo, Yibo;  Li, Yaqiong;  Liu, Yao;  Fu, Jie
收藏  |  浏览/下载：1/0  |  提交时间：2023/12/13
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：88/0  |  提交时间：2023/06/15
The SWSe-BP vdW Heterostructure as a Promising Photocatalyst for Water Splitting with Power Conversion Efficiency of 19.4% 期刊论文
ACS OMEGA, 2022
作者:  Tu, Jiarui;  Wu, Wenjun;  Lei, Xueling;  Li, Pengfei
收藏  |  浏览/下载：15/0  |  提交时间：2022/12/22
Formation and Performance of Diamond (111)/Cu Interface from First-Principles Calculation 期刊论文
COATINGS, 2022, 卷号: 12, 期号: 5
作者:  Zhao, Yongsheng;  Yan, Fengyun;  An, Yi
收藏  |  浏览/下载：26/0  |  提交时间：2022/06/21
First Principles Study on the Dissolution Corrosion Behavior of RAFM Steel in the Liquid PbLi 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 563
作者:  Ding, Wenyi;  Zhang, Min;  Jiang, Zhizhong;  Zheng, Mingjie;  Huang, Wangli
收藏  |  浏览/下载：12/0  |  提交时间：2022/12/23
Phase transitions of zirconia: Machine-learned force fields beyond density functional theory 期刊论文
PHYSICAL REVIEW B, 2022, 卷号: 105, 期号: 6, 页码: 6
作者:  Liu, Peitao;  Verdi, Carla;  Karsai, Ferenc;  Kresse, Georg
收藏  |  浏览/下载：11/0  |  提交时间：2022/07/01

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