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Effect of transition metals doping on electronic structure and optical properties of beta-Ga2O3 期刊论文
MATERIALS RESEARCH EXPRESS, 2021, 卷号: 8, 期号: 2, 页码: -
作者:  Gao, Shanshan;  Li, Weixue;  Dai, Jianfeng;  Wang, Qing;  Suo, Zhongqiang
收藏  |  浏览/下载:12/0  |  提交时间:2021/03/12
Effect of transition metals doping on electronic structure and optical properties of β-Ga2O3 期刊论文
Materials Research Express, 2021, 卷号: 8, 期号: 2
作者:  Gao, Shanshan;  Li, Weixue;  Dai, Jianfeng;  Wang, Qing;  Suo, Zhongqiang
收藏  |  浏览/下载:23/0  |  提交时间:2021/04/12
High Coverage CO Adsorption on Fe6O6 Cluster Using GGA plus U 期刊论文
JOURNAL OF CLUSTER SCIENCE, 2020, 卷号: 31, 期号: 3, 页码: 591-600
作者:  Yu, Xiaohu;  Jin, Lingxia;  Zhao, Caibin;  Liu, Zhong
收藏  |  浏览/下载:18/0  |  提交时间:2021/11/16
First-Principles Investigation of Thermodynamic Decomposition of Interfacial Oxides in Hot Compression Bonding 期刊论文
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 2019, 卷号: 51, 期号: 2, 页码: 13
作者:  Zhang, Honglin;  Chen, Xing-Qiu;  Xu, Bin;  Sun, Mingyue;  Li, Dianzhong
收藏  |  浏览/下载:13/0  |  提交时间:2021/02/02
Mn掺杂锶铁氧体SrFe_(12)O_(19)电子结构及磁性的第一性原理研究 期刊论文
无机材料学报, 2019, 卷号: 34, 期号: 10, 页码: 1047-1054
作者:  王中;  查显弧;  吴泽;  黄庆;  都时禹
收藏  |  浏览/下载:17/0  |  提交时间:2019/12/18
Influence of Zr-S co-doping on the electronic structure and optical properties of anatase TiO2: first-principles GGA plus U method 期刊论文
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 2019, 卷号: 125
作者:  Yan, Chao;  Zeng, Qunfeng;  Zhu, Jianing;  Cao, Qian
收藏  |  浏览/下载:1/0  |  提交时间:2019/11/19
Theoretical insights into the hydrophobicity of low index CeO2 surfaces 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 478, 页码: 68-74
作者:  Fronzi, Marco;  Assadi, M. Hussein N.;  Hanaor, Dorian A. H.
收藏  |  浏览/下载:9/0  |  提交时间:2019/11/19
First-principles investigation on elastic, electronic, and optical properties of Ti3O5 期刊论文
ACTA PHYSICA SINICA, 2019, 卷号: 68, 期号: 20
作者:  Fu XianKai;  Chen WanQi;  Jiang ZhongSheng;  Yang Bo;  Zhao Xiang
收藏  |  浏览/下载:3/0  |  提交时间:2021/02/26
First principles investigations of the structural, electrical and optical properties of iron-doped zinc oxide (0001) surfaces 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 154, 页码: 435-441
作者:  Cheng, Jingsi;  Wang, Ping;  Hua, Chao;  Yang, Yintang;  Zhang, Zhiyong
收藏  |  浏览/下载:34/0  |  提交时间:2018/11/02
Description of light-element magnetic systems via density functional theory plus U with an example system of fluorinated boron nitride: An efficient alternative to hybrid functional approach 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 146, 页码: 84-89
作者:  Li, Wanxue;  Xin, Xiaojun;  Wang, Hongyan;  Guo, Chunsheng;  Jiang, Hong
收藏  |  浏览/下载:42/0  |  提交时间:2019/04/09


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