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First-principles study of the impact of hydrogen on the adsorption properties of Ti-decorated graphdiyne storage methane 期刊论文
Chemical Physics Letters, 2022, 卷号: 790
作者:  Zhao, Qiuyu;  Chen, Yuhong;  Xu, Wenhui;  Ju, Jiaming;  Zhao, Yingjie
收藏  |  浏览/下载：18/0  |  提交时间：2022/04/21
First-Principles Study on Free Energy and Elastic Properties of Disordered beta-Ti1-xNbx Alloy: Comparison Between SQS and CPA 期刊论文
ACTA METALLURGICA SINICA, 2020, 卷号: 56, 期号: 9, 页码: 1304-1312
作者:  Zhang Haijun;  Qiu Shi;  Sun Zhimei;  Hu Qingmiao;  Yang Rui
收藏  |  浏览/下载：15/0  |  提交时间：2021/02/02
Effect of Co-Doping on the Stability of γ'-Ni3Al: A First-Principles Study 期刊论文
Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753
作者:  Li, Yamin;  Chen, Yinping;  Liu, Hongjun
收藏  |  浏览/下载：18/0  |  提交时间：2020/12/18
Effect of Co-Doping on the Stability of gamma '-Ni3Al: A First-Principles Study 期刊论文
RARE METAL MATERIALS AND ENGINEERING, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753
作者:  Li Yamin;  Chen Yinping;  Liu Hongjun
收藏  |  浏览/下载：13/0  |  提交时间：2022/03/01
First-principles investigation of monatomic gold wires under tension 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 171, 页码: 7
作者:  He, Lianhua;  Liu, Fang;  Li, Ju;  Rignanese, Gian-Marco;  Zhou, Aihui
收藏  |  浏览/下载：16/0  |  提交时间：2020/05/24
Effect of Cu/Al doping on electronic structure and optical properties of ZnO 期刊论文
RESULTS IN PHYSICS, 2019, 卷号: 15
作者:  Dai, Jianfeng;  Suo, Zhongqiang;  Li, Zengpeng;  Gao, Shanshan
收藏  |  浏览/下载：6/0  |  提交时间：2020/06/02
First principles study of the electronic structure and optical properties of chrysene under pressure 期刊论文
MOLECULAR SIMULATION, 2019, 卷号: 45, 期号: 2, 页码: 147-153
作者:  Xiao, Lingping;  Zeng, Li;  Yang, Xue
收藏  |  浏览/下载：0/0  |  提交时间：2020/03/31
Bandgap control and optical properties of beta-Si3N4 by single- and co-doping from a first-principles simulation 期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2018, 卷号: 32, 期号: 14
作者:  Lu, Xuefeng;  Gao, Xu;  Ren, Junqiang;  Li, Cuixia;  Guo, Xin
收藏  |  浏览/下载：19/0  |  提交时间：2019/11/15
Insight into the extraction mechanism of americium(iii) over europium(iii) with pyridylpyrazole: a relativistic quantum chemistry study 期刊论文
Journal of physical chemistry a, 2018, 卷号: 122, 期号: 18, 页码: 4499-4507
作者:  Kong, Xiang-He;  Wu, Qun-Yan;  Wang, Cong-Zhi;  Lan, Jian-Hui;  Chai, Zhi-Fang
收藏  |  浏览/下载：51/0  |  提交时间：2019/04/23
Adsorption of rare earth yttrium and ammonium ions on kaolinite surfaces: a DFT study 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2018, 卷号: 137, 期号: 4, 页码: 11
作者:  Wang, Guanshi;  Lai, Yuanming;  Peng, Chenliang
收藏  |  浏览/下载：44/0  |  提交时间：2019/10/09

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