An efficient Z-scheme (Cr, B) codoped g-C3N4/BiVO4 photocatalyst for water splitting: A hybrid DFT study

2021 ◽  
Vol 46 (1) ◽  
pp. 247-261 ◽  
Author(s):  
Qi Wang ◽  
Yanming Lin ◽  
Peiying Li ◽  
Mintong Ma ◽  
V. Maheskumar ◽  
...  
Keyword(s):  
Water Splitting ◽  
Dft Study

DFT study of various tungstates for photocatalytic water splitting

2020 ◽  
Vol 22 (3) ◽  
pp. 1727-1737 ◽  
Author(s):  
Bosi Huang ◽  
Judy N. Hart
Keyword(s):  
Electronic Properties ◽  
Water Splitting ◽  
Dft Study ◽  
Photocatalytic Water Splitting

The electronic properties of ternary tungstates can be tuned for photocatalytic water splitting applications by appropriate choice of composition.

Hexagonal CuCl Monolayer for Water Splitting: A DFT Study

2019 ◽  
Vol 2 (7) ◽  
pp. 4238-4246 ◽  
Author(s):  
Priyanka Garg ◽  
Kuber Singh Rawat ◽  
Gargee Bhattacharyya ◽  
Sourabh Kumar ◽  
Biswarup Pathak
Keyword(s):  
Water Splitting ◽  
Dft Study

scholarly journals Origin of the enhanced photocatalytic activity of (Ni, Se, and B) mono- and co-doped anatase TiO2 materials under visible light: a hybrid DFT study

RSC Advances ◽  
2020 ◽  
Vol 10 (70) ◽  
pp. 43092-43102
Author(s):  
Hanan H. Ibrahim ◽  
Adel A. Mohamed ◽  
Ismail A. M. Ibrahim
Keyword(s):  
Photocatalytic Activity ◽  
Hydrogen Production ◽  
Dft Calculations ◽  
Visible Light ◽  
Water Splitting ◽  
Anatase Tio2 ◽  
Dft Study ◽  
Co Doped

Hybrid DFT calculations demonstrate that Ni, Se4+ and Se2− mono-doped and Ni/Se4+ co-doped TiO2 are potential photocatalysts for water splitting and hydrogen production.

scholarly journals Two-Dimensional CdX/C2N (X = S, Se) Heterostructures as Potential Photocatalysts for Water Splitting: A DFT Study

ACS Omega ◽  
2020 ◽  
Vol 5 (37) ◽  
pp. 23762-23768 ◽  
Author(s):  
M. R. Ashwin Kishore ◽  
Karin Larsson ◽  
Ponniah Ravindran
Keyword(s):  
Water Splitting ◽  
Dft Study ◽  
Two Dimensional

DFT study on the oxygen titanium porphyrin as sustainable cyclic catalyst for water splitting

2019 ◽  
Vol 44 (36) ◽  
pp. 19920-19928 ◽  
Author(s):  
Hong-Xia Yu ◽  
Hui-Min Mu ◽  
Dong-Ran Zhu ◽  
Yong Zhang ◽  
Xiao-Chun Wang ◽  
...  
Keyword(s):  
Water Splitting ◽  
Dft Study

New Insights into Se/BiVO4 Heterostructure for Photoelectrochemical Water Splitting: A Combined Experimental and DFT Study

2017 ◽  
Vol 121 (11) ◽  
pp. 6218-6228 ◽  
Author(s):  
Siti Nur Farhana M. Nasir ◽  
Habib Ullah ◽  
Mehdi Ebadi ◽  
Asif A. Tahir ◽  
Jagdeep S. Sagu ◽  
...  
Keyword(s):  
Water Splitting ◽  
Photoelectrochemical Water Splitting ◽  
Dft Study
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