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Ultrahigh Lithium Storage Capacity of Al2C Monolayer in a Restricted Multilayered Growth Mechanism 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2022, 卷号: 14
作者:  Lu, Ning;  Wang, Kai;  Jiang, Jiaxin;  Guo, Hongyan;  Zuo, Gui Zhong
收藏  |  浏览/下载:10/0  |  提交时间:2022/12/23
Structure stability, electronic property and voltage profile of LiFe1−nNnP1−mM mO4 olivine cathode material 期刊论文
Rare Metals, 2021, 卷号: 40, 期号: 12, 页码: 3512-3519
作者:  Cui, Zhi-Hong;  Lu, Xue-Feng;  Luo, Jian-Hua;  Guo, Xin;  Xue, Hong-Tao
收藏  |  浏览/下载:19/0  |  提交时间:2022/02/17
Probing the reaction mechanism of acetylene hydrochlorination on metal-free doped boron nitride: Decisive role of carbon dopant 期刊论文
APPLIED SURFACE SCIENCE, 2021, 卷号: 566, 页码: 7
作者:  Si, Chaowei;  Lian, Zan;  Yang, Min;  Li, Bo
收藏  |  浏览/下载:30/0  |  提交时间:2021/11/22
The assisting and stabilizing role played by omega phase during the {112} < 111 >(beta) twinning in Ti-Mo alloys: A first-principles insight 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2021, 卷号: 80, 页码: 163-170
作者:  Chen, Qiu-Jie;  Ma, Shang-Yi;  Wang, Shao-Qing
收藏  |  浏览/下载:58/0  |  提交时间:2021/10/15
Investigation of the dissolution and diffusion properties of interstitial oxygen at grain boundaries in body-centered-cubic iron by the first-principles study 期刊论文
RSC ADVANCES, 2021, 卷号: 11
作者:  Liu, Zhijie;  Zhang, Yange;  Li, Xiangyan;  Xu, Yichun;  Wu, Xuebang
收藏  |  浏览/下载:23/0  |  提交时间:2021/05/10
Investigation of the dissolution and diffusion properties of interstitial oxygen at grain boundaries in body-centered-cubic iron by the first-principles study 期刊论文
RSC ADVANCES, 2021, 卷号: 11, 期号: 15, 页码: 8643-8653
作者:  Liu, Zhijie;  Zhang, Yange;  Li, Xiangyan;  Xu, Yichun;  Wu, Xuebang
收藏  |  浏览/下载:21/0  |  提交时间:2021/12/10
ASYMPTOTICALLY-PRESERVING LARGE DEVIATIONS PRINCIPLES BY STOCHASTIC SYMPLECTIC METHODS FOR A LINEAR STOCHASTIC OSCILLATOR 期刊论文
SIAM JOURNAL ON NUMERICAL ANALYSIS, 2021, 卷号: 59, 期号: 1, 页码: 32-59
作者:  Chen, Chuchu;  Hong, Jialing;  Jin, Diancong;  Sun, Liying
收藏  |  浏览/下载:29/0  |  提交时间:2021/04/26
First-principles investigation on the bonding mechanisms of two-dimensional carbon materials on the transition metals surfaces 期刊论文
RSC ADVANCES, 2020, 卷号: 10, 期号: 71, 页码: 43412-43419
作者:  Zhang, Xin;  Sun, Shenghui;  Wang, Shaoqing
收藏  |  浏览/下载:9/0  |  提交时间:2021/03/15
Intrinsic molecular vibration and rigorous vibrational assignment of benzene by first-principles molecular dynamics 期刊论文
SCIENTIFIC REPORTS, 2020, 卷号: 10, 期号: 1, 页码: 14
作者:  Wang, Shaoqing
收藏  |  浏览/下载:106/0  |  提交时间:2021/02/02
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


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