Why does F-doping enhance the photocatalytic water-splitting performance of mBiVO4? – a density functional theory study

2017 ◽  
Vol 41 (3) ◽  
pp. 1094-1102 ◽  
Author(s):  
Lili Wen ◽  
Kaining Ding ◽  
Shuping Huang ◽  
Yongfan Zhang ◽  
Yi Li ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Water Splitting ◽  
Oxygen Evolution ◽  
Density Functional ◽  
Photocatalytic Performance ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Photocatalytic Water Splitting ◽  
Promising Strategy

F-Doping can be a promising strategy to modify the photocatalytic performance of mBiVO4 for hydrogen and oxygen evolution from water.

Boosting the photocatalytic hydrogen evolution performance of C2N monolayer coupled with MoSi2N4: density-functional theory calculations

2021 ◽  
Author(s):  
Jian Zeng ◽  
Liang Xu ◽  
Youwen Yang ◽  
Xin Luo ◽  
Hongju Li ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Evolution ◽  
Water Splitting ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Two Dimensional ◽  
Functional Theory ◽  
Photocatalytic Hydrogen Evolution ◽  
Photocatalytic Water Splitting ◽  
Separation Rate

Very recently, a vital two-dimensional material MoSi2N4 is successfully synthesized experimentally. However, pure MoSi2N4 has some inherent shortcomings in photocatalytic water splitting to produce hydrogen. especially the low separation rate...

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