Efficient Strategy to Enhance the Photocatalytic Activity of Ir-doped SrTiO3 : A Hybrid DFT Approach

2022 ◽  
Author(s):  
Brindaban Modak
Keyword(s):  
Photocatalytic Activity ◽  
Band Gap ◽  
Water Splitting ◽  
Band Gap Engineering ◽  
Photocatalytic Water Splitting ◽  
Efficient Strategy

Photocatalytic water splitting using sunlight is one of the most promising approaches to produce hydrogen, for which an increasing focus has been directed towards band gap engineering of the existing...

scholarly journals Group-IVA element-doped SrIn2O4 as potential materials for hydrogen production from water splitting with solar energy

RSC Advances ◽  
2018 ◽  
Vol 8 (56) ◽  
pp. 32317-32324
Author(s):  
Hai-Cai Huang ◽  
Chuan-Lu Yang ◽  
Mei-Shan Wang ◽  
Xiao-Guang Ma ◽  
You-Gen Yi
Keyword(s):  
Photocatalytic Activity ◽  
Hydrogen Production ◽  
Solar Energy ◽  
Band Gap ◽  
Water Splitting ◽  
Hydrogen Generation ◽  
Band Gap Engineering ◽  
Group Iva

Band gap engineering can efficiently improve the photocatalytic activity of semiconductors for hydrogen generation from water splitting.

scholarly journals Band-gap engineering in AB(OxS1−x)3 perovskite oxysulfides: a route to strongly polar materials for photocatalytic water splitting

2019 ◽  
Vol 7 (26) ◽  
pp. 15741-15748 ◽  
Author(s):  
Nathalie Vonrüti ◽  
Ulrich Aschauer
Keyword(s):  
Dft Calculations ◽  
Band Gap ◽  
Water Splitting ◽  
Band Gaps ◽  
Band Gap Engineering ◽  
Photocatalytic Water Splitting ◽  
Polar Materials ◽  
Small Band

DFT calculations predict BaZrxTi1−xO2S to combine ferroelectricity and small band gaps making them promising materials for photocatalytic water splitting.

An Efficient Strategy for Controlled Band Gap Engineering of KTaO3

2016 ◽  
Vol 120 (13) ◽  
pp. 6920-6929 ◽  
Author(s):  
Brindaban Modak ◽  
Swapan K. Ghosh
Keyword(s):  
Band Gap ◽  
Band Gap Engineering ◽  
Efficient Strategy

Assembly of thiacalix[4]arene-supported high-nuclearity Cd24 cluster with enhanced photocatalytic activity

Nanoscale ◽  
2018 ◽  
Vol 10 (30) ◽  
pp. 14448-14454 ◽  
Author(s):  
Cheng Shi ◽  
Min Zhang ◽  
Xinxin Hang ◽  
Yanfeng Bi ◽  
Liangliang Huang ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Water Splitting ◽  
Co Catalyst ◽  
Photocatalytic Water Splitting

A high-nuclearity Cd24 cluster built from Cd4-thiacalix[4]arene SBUs and in situ generated peroxyphosphate PO53− exhibited significant photocatalytic water splitting activity in absence of a co-catalyst.

Rational Band Gap Engineering of WO3 Photocatalyst for Visible light Water Splitting

ChemCatChem ◽  
2012 ◽  
Vol 4 (4) ◽  
pp. 476-478 ◽  
Author(s):  
Fenggong Wang ◽  
Cristiana Di Valentin ◽  
Gianfranco Pacchioni
Keyword(s):  
Visible Light ◽  
Band Gap ◽  
Water Splitting ◽  
Band Gap Engineering ◽  
Light Water

Band gap engineering of Ba5Nb4O15 for efficient water splitting under visible light

2015 ◽  
Vol 644 ◽  
pp. 757-762 ◽  
Author(s):  
Songjie Li ◽  
Wenbo Cao ◽  
Chengduo Wang ◽  
Hai Qiu
Keyword(s):  
Visible Light ◽  
Band Gap ◽  
Water Splitting ◽  
Band Gap Engineering

A hybrid DFT based investigation of the photocatalytic activity of cation–anion codoped SrTiO3 for water splitting under visible light

2014 ◽  
Vol 16 (44) ◽  
pp. 24527-24535 ◽  
Author(s):  
Brindaban Modak ◽  
K. Srinivasu ◽  
Swapan K. Ghosh
Keyword(s):  
Photocatalytic Activity ◽  
Visible Light ◽  
Band Gap ◽  
Water Splitting ◽  
Band Alignment ◽  
Trapping Center

The effect of cation (Mo or W) and anion (N) codoping in different proportion has been explored to improve the photocatalytic activity of SrTiO3 under visible light. Codoping in 1 : 2 ratio has been found to be more effective due to reduction in band gap without introducing local trapping center and also for maintaining appropriate band alignment.

Sign in / Sign up

Export Citation Format

Share Document