Density functional study on the hole doping of single-layer SnS2 with metal element X (X = Li, Mg, and Al)

2016 ◽  
Vol 18 (1) ◽  
pp. 318-324 ◽  
Author(s):  
Dandan Yu ◽  
Yanyu Liu ◽  
Lili Sun ◽  
Ping Wu ◽  
Wei Zhou
Keyword(s):  
Water Splitting ◽  
Density Functional ◽  
Single Layer ◽  
Functional Study ◽  
Hole Doping ◽  
Density Functional Study ◽  
Photo Oxidation ◽  
Overall Water Splitting ◽  
Metal Element

Li-doped single-layer SnS2 is active for overall water splitting whereas Mg(Al)-doped SnS2 is suitable only for photo-oxidation.

scholarly journals Density functional study on the stability and electronic structure of single layer Si6H4Ph2

2012 ◽  
Vol 61 (24) ◽  
pp. 246801
Author(s):  
Song Jian ◽  
Li Feng ◽  
Deng Kai-Ming ◽  
Xiao Chuan-Yun ◽  
Kan Er-Jun ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Single Layer ◽  
Functional Study ◽  
Density Functional Study ◽  
The Stability

scholarly journals Density functional study of Li/Na adsorption properties of single-layer and double-layer antimonenes

RSC Advances ◽  
2019 ◽  
Vol 9 (56) ◽  
pp. 32608-32619
Author(s):  
Huilan Wei ◽  
Jianping Sun ◽  
Yifan Hu ◽  
Zhao Li ◽  
Mei Ai
Keyword(s):  
Double Layer ◽  
Density Functional ◽  
Single Layer ◽  
Adsorption Properties ◽  
Functional Study ◽  
Two Dimensional ◽  
Density Functional Study

β-Antimonene, a stable two-dimensional material, has been successfully prepared recently.

Trends in non-metal doping of the SrTiO3 surface: a hybrid density functional study

2015 ◽  
Vol 17 (33) ◽  
pp. 21611-21621 ◽  
Author(s):  
Yating Guo ◽  
Xiaowei Qiu ◽  
Hao Dong ◽  
Xin Zhou
Keyword(s):  
Water Splitting ◽  
Density Functional ◽  
Visible Region ◽  
Functional Study ◽  
Metal Doping ◽  
Density Functional Study ◽  
Hybrid Density Functional

N-, Br- and I-doped SrTiO3 surfaces are theoretically found to be promising photocatalysts for water splitting in the visible region.

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