CORC

在结果中检索

CORC

浏览/检索结果: 共15条，第1-10条 帮助

已选(0)清除 条数/页：   排序方式：
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：87/0  |  提交时间：2022/07/14
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
-
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
-
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
-
收藏  |  浏览/下载：5/0  |  提交时间：2020/01/03
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
The solubility of cerium in La2Ti2O7 by DFT + U calculations 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2015, 卷号: 648, 页码: 609-614
作者:  Liu, CG;  Yang, DY;  Chen, LJ;  Liu, H;  Xia, Y
收藏  |  浏览/下载：5/0  |  提交时间：2017/01/13
Study on the electronic structure and elastic constants of uranium dioxide by first principles 期刊论文
ACTA PHYSICA SINICA, 2015, 卷号: 64, 期号: 9, 页码: 097101-1-097101-6
作者:  Fan, H;  Wang, SS;  Li, YH
收藏  |  浏览/下载：5/0  |  提交时间：2017/01/13
Cation effect investigation on electronic structure, magnetic and optical properties of Li2Pb2CuB4O10 期刊论文
CHEMICAL PHYSICS, 2015, 卷号: 447, 期号: 2, 页码: 60-63
作者:  Yang, ZH (Yang, Zhihua);  Huang, XC (Huang, Xuchu);  Liu, Q (Liu, Qiong);  Hou, DW (Hou, Dianwei);  Zhang, BB (Zhang, Bingbing)
收藏  |  浏览/下载：35/0  |  提交时间：2015/03/10
Electronic properties of energy harvesting Cu-chalcogenides: p-d hybridization and d-electron localization 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2015, 卷号: 108, 页码: 239-249
作者:  Zhang, Yubo[1];  Xi, Lili[2];  Wang, Youwei[3];  Zhang, Jiawei[4];  Zhang, Peihong[5]
收藏  |  浏览/下载：11/0  |  提交时间：2019/04/30

©版权所有 ©2017 CSpace - Powered by CSpace