Enhancing Charge Separation and Photocatalytic Activity of Cubic SrTiO3with Perovskite-Type Materials MTaO3(M=Na, K) for Environmental Remediation: A First-Principles Study

2017 ◽  
Vol 2 (22) ◽  
pp. 6304-6316 ◽  
Author(s):  
Francis Opoku ◽  
Krishna Kuben Govender ◽  
Cornelia Gertina Catharina Elizabet van Sittert ◽  
Penny Poomani Govender
Keyword(s):  
Photocatalytic Activity ◽  
First Principles ◽  
Charge Separation ◽  
Environmental Remediation ◽  
First Principles Study ◽  
Perovskite Type

Enhanced photocatalytic activity of nonmetal doped monolayer MoSe2 by hydrogen passivation: First-principles study

2018 ◽  
Vol 456 ◽  
pp. 133-139 ◽  
Author(s):  
Yafei Zhao ◽  
Wei Wang ◽  
Can Li ◽  
Yizhe Sun ◽  
Huanfeng Xu ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
First Principles ◽  
Hydrogen Passivation ◽  
First Principles Study

Enhancing photocatalytic activity in monolayer MoS2 by charge compensated co-doping with P and Cl: First principles study

2019 ◽  
Vol 468 ◽  
pp. 94-99 ◽  
Author(s):  
Yafei Zhao ◽  
Yizhe Sun ◽  
Xiaoying Hu ◽  
Jian Tu ◽  
Qinwu Gao ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
First Principles ◽  
Monolayer Mos2 ◽  
Co Doping ◽  
First Principles Study

First-principles study of dopants and defects in S-doped ZnO and its effect on photocatalytic activity

2012 ◽  
Vol 58 ◽  
pp. 119-124 ◽  
Author(s):  
Haifeng Zhang ◽  
Zhuo Tao ◽  
Wenguo Xu ◽  
Shixiang Lu ◽  
Feng Yuan
Keyword(s):  
Photocatalytic Activity ◽  
First Principles ◽  
First Principles Study ◽  
Doped Zno

scholarly journals DFT based first principles study of novel combinations of perovskite‐type hydrides XGaH3 (X = Rb, Cs, Fr) for hydrogen storage applications

AIP Advances ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 025032
Author(s):  
R. M. Arif Khalil ◽  
Shafqat Hayat ◽  
Muhammad Iqbal Hussain ◽  
Anwar Manzoor Rana ◽  
Fayyaz Hussain
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
First Principles Study ◽  
Perovskite Type
Sign in / Sign up

Export Citation Format

Share Document