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CORC

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Cl-induced passivity breakdown in alpha-Fe2O3 (0001), alpha-Cr2O3 (0001), and their interface: A DFT study 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 129, 页码: 70-78
作者:  Yin, Xiaoran;  Wang, Haitao;  Han, En-Hou
收藏  |  浏览/下载：84/0  |  提交时间：2022/07/14
The structure properties, defect stability and excess properties in Am-doped LnPO(4) (Ln = La, Ce, Nd, Sm, Eu, Gd) monazites 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 806, 页码: 113-119
作者:  Teng, Yuancheng;  Yang, Xiaoyong;  Wu, Lang;  Wang, Lili;  Zhang, Tongmin
收藏  |  浏览/下载：75/0  |  提交时间：2019/11/10
BiMOx Semiconductors as Catalysts for Photocatalytic Decomposition of N2O: A Combination of Experimental and DFT plus U Study 期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2019, 卷号: Vol.7 No.2, 页码: 2811-2820
作者:  Liu, Jixing;  Wang, Lu;  Song, Weiyu;  Zhao, Minjie;  Liu, Jian
收藏  |  浏览/下载：10/0  |  提交时间：2019/12/17
Adsorption, diffusion, and limited dissociation of a single water molecule on the alpha-Pu2O3 (111) surface 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2019, 卷号: 31
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收藏  |  浏览/下载：12/0  |  提交时间：2020/01/03
Experimental and DFT insights of BiVO4 as an effective photocatalytic catalyst for N2O decomposition 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2019, 卷号: 366, 页码: 504-513
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收藏  |  浏览/下载：8/0  |  提交时间：2020/01/03
BiMOx Semiconductors as Catalysts for Photocatalytic Decomposition of N2O: A Combination of Experimental and DFT plus U Study 期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2019, 卷号: 7, 页码: 2811-2820
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收藏  |  浏览/下载：5/0  |  提交时间：2020/01/03
Relativistic GW plus BSE study of the optical properties of Ruddlesden-Popper iridates 期刊论文
PHYSICAL REVIEW MATERIALS, 2018, 卷号: 2, 期号: 7, 页码: -
作者:  Liu, PT;  Kim, B;  Chen, XQ;  Sarma, DD;  Kresse, G
收藏  |  浏览/下载：24/0  |  提交时间：2018/12/25
Relativistic GW plus BSE study of the optical properties of Ruddlesden-Popper iridates 期刊论文
PHYSICAL REVIEW MATERIALS, 2018, 卷号: 2, 期号: 7, 页码: 13
作者:  Liu, Peitao;  Kim, Bongjae;  Chen, Xing-Qiu;  Sarma, D. D.;  Kresse, Georg
收藏  |  浏览/下载：2/0  |  提交时间：2021/02/02
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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