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The Mechanism for the Half-Metal to Insulator Transition at the Fe3O4/ZnAl2O4 Interface 期刊论文
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2019, 卷号: 256
作者:  Jin, Zhejunyu;  Li, Zongxiao;  Pu, Xiaohua;  Zhao, Weiwei;  Ding, Kaining
收藏  |  浏览/下载:17/0  |  提交时间:2019/11/21
Improvement of photocatalytic activity of g-C3N4 by five-membered heterocyclic small molecule modifications: A theoretical prediction 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 478, 页码: 119-127
作者:  Zhang, Yongli;  Ren, Chunjin;  Zhang, Yongfan;  Lin, Wei;  Ding, Kaining
收藏  |  浏览/下载:5/0  |  提交时间:2019/11/21
Theoretical Design of Layered AlGaS3 as a New Nonlinear Optical Material with a Strong Second Harmonic Generation Response Published as part of a Crystal Growth and Design virtual special issue on Crystalline Functional Materials in Honor of Professor Xin-Tao Wu 期刊论文
CRYSTAL GROWTH & DESIGN, 2019, 卷号: 19, 页码: 1632-1639
作者:  Lin, Jing;  Huang, Jiajia
收藏  |  浏览/下载:2/0  |  提交时间:2019/11/21
Effects of ligand functionalization on the photocatalytic properties of titanium-based MOF: A density functional theory study 期刊论文
AIP ADVANCES, 2018, 卷号: 8
作者:  Li, Yi;  Fu, Yuqing;  Ni, Bilian;  Ding, Kaining;  Chen, Wenkai
收藏  |  浏览/下载:4/0  |  提交时间:2019/11/21
Electrochemical fabrication of shape-controlled Cu2O with spheres, octahedrons and truncated octahedrons and their electrocatalysis for ORR 期刊论文
NEW JOURNAL OF CHEMISTRY, 2018, 卷号: 42, 页码: 458-464
作者:  Zhang, Xiaofeng;  Zhang, Yi;  Huang, Huodi;  Cai, Jiannan;  Ding, Kaining
收藏  |  浏览/下载:5/0  |  提交时间:2019/11/21
Different Atomic Terminations Affect the Photocatalytic Nitrogen Fixation of Bismuth Oxybromide: A First Principles Study 期刊论文
CHEMISTRY-AN ASIAN JOURNAL, 2018, 卷号: 13, 页码: 799-808
作者:  Liu, Hongxian;  Fang, Zhenxing;  Su, Yongfei;  Suo, Yuanli;  Huang, Shuping
收藏  |  浏览/下载:9/0  |  提交时间:2019/11/21
Indium selenide monolayer: a two-dimensional material with strong second harmonic generation 期刊论文
CRYSTENGCOMM, 2018, 卷号: 20, 页码: 2573-2582
作者:  Lin, Jing;  Fang, Zhenxing;  Tao, Huilin;  Li, Yi;  Huang, Xin
收藏  |  浏览/下载:3/0  |  提交时间:2019/11/21
Toward improving CO2 dissociation and conversion to methanol via CO-hydrogenation on Cu(100) surface by introducing embedded Co nanoclusters as promoters: A DFT study 期刊论文
APPLIED SURFACE SCIENCE, 2018, 卷号: 427, 页码: 837-847
作者:  Qiu, Mei;  Tao, Huilin;  Li, Yali;  Li, Yi;  Ding, Kaining
收藏  |  浏览/下载:11/0  |  提交时间:2019/11/21
The functionalization effect of benzoic acid and anisole on the photocatalytic activity of monolayer MoS2 期刊论文
APPLIED SURFACE SCIENCE, 2018, 卷号: 437, 页码: 314-320
作者:  Suo, Yuanli;  Liu, Hongxian;  Huang, Shuping;  Zhang, Yongfan;  Ding, Kaining
收藏  |  浏览/下载:4/0  |  提交时间:2019/11/21
Why does F-doping enhance the photocatalytic water-splitting performance of mBiVO(4)? - a density functional theory study 期刊论文
NEW JOURNAL OF CHEMISTRY, 2017, 卷号: 41, 页码: 1094-1102
作者:  Wen, Lili;  Ding, Kaining;  Huang, Shuping;  Zhang, Yongfan;  Lia, Yi
收藏  |  浏览/下载:4/0  |  提交时间:2019/11/21


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