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CORC

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Conduction band engineering of half-Heusler thermoelectrics using orbital chemistry 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2021
作者:  Guo, Shuping;  Anand, Shashwat;  Brod, Madison K.;  Zhang, Yongsheng;  Snyder, G. Jeffrey
收藏  |  浏览/下载：22/0  |  提交时间：2022/02/14
Type-II Dirac cones and electron-phonon interaction in monolayer biphenylene from first-principles calculations 期刊论文
PHYSICAL REVIEW B, 2021, 卷号: 104
作者:  Liu, Peng-Fei;  Li, Jingyu;  Zhang, Chi;  Tu, Xin-Hai;  Zhang, Junrong
收藏  |  浏览/下载：30/0  |  提交时间：2022/03/21
First-principles study on lattice structures and electronic properties of Li1/2La1/2TiO3/Li2S interface 期刊论文
SOLID STATE IONICS, 2021, 卷号: 373
作者:  Zhao, Qing-Shan;  Xue, Hong-Tao;  Tang, Fu-Ling;  Wei, Cheng-Dong
收藏  |  浏览/下载：25/0  |  提交时间：2021/12/17
Signature splitting of the g(7/2)[404]7/2(+) bands in Ba-131 and Ce-133 期刊论文
PHYSICAL REVIEW C, 2021, 卷号: 104, 期号: 6, 页码: 15
作者:  Ding, B.;  Petrache, C. M.;  Guo, S.;  Lawrie, E. A.;  Wakudyanaye, I
收藏  |  浏览/下载：36/0  |  提交时间：2022/01/24
Band Engineering SnTe via Trivalent Substitutions for Enhanced Thermoelectric Performance 期刊论文
CHEMISTRY OF MATERIALS, 2021
作者:  Zhang, Xuemei;  Wang, Zhongyi;  Zou, Bo;  Brod, Madison K.;  Zhu, Jianbo
收藏  |  浏览/下载：22/0  |  提交时间：2022/01/10
A parallel orbital-updating based optimization method for electronic structure calculations 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2021, 卷号: 445, 页码: 17
作者:  Dai, Xiaoying;  Liu, Zhuang;  Zhang, Xin;  Zhou, Aihui
收藏  |  浏览/下载：8/0  |  提交时间：2022/04/02
Many-core acceleration of the first-principles all-electron quantum perturbation calculations 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 267, 页码: 8
作者:  Shang, Honghui;  Duan, Xiaohui;  Li, Fang;  Zhang, Libo;  Xu, Zhiqian
收藏  |  浏览/下载：52/0  |  提交时间：2021/12/01
Energy-Level Alignment and Orbital-Selective Femtosecond Charge Transfer Dynamics of Redox-Active Molecules on Au, Ag, and Pt Metal Surfaces 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125
作者:  Zhang, Ziyu;  Cao, Liang;  Chen, Xue;  Thompson, Damien;  Qi, Dongchen
收藏  |  浏览/下载：21/0  |  提交时间：2021/11/01
Insights into superconductivity of LaO from experiments and first-principles calculations 期刊论文
PHYSICAL REVIEW B, 2021, 卷号: 104
作者:  Gan, H.;  Zhang, C.;  Du, X. Z.;  Jiang, P.;  Niu, C. P.
收藏  |  浏览/下载：35/0  |  提交时间：2021/09/06
Electronic and optical properties of the SnO2/CsPbI3 interface: Using first principles calculations 期刊论文
CATALYSIS TODAY, 2021, 卷号: 374, 页码: 208-213
作者:  Hu, Wei;  Si, Fengjuan;  Xue, Hongtao;  Tang, Fuling;  Li, Wensheng
收藏  |  浏览/下载：4/0  |  提交时间：2021/10/14

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