Enhanced visible-light photocatalytic activity of a g-C3N4/BiVO4nanocomposite: a first-principles study

2015 ◽  
Vol 17 (15) ◽  
pp. 10218-10226 ◽  
Author(s):  
Jihua Zhang ◽  
Fengzhu Ren ◽  
Mingsen Deng ◽  
Yuanxu Wang
Keyword(s):  
Photocatalytic Activity ◽  
Visible Light ◽  
First Principles ◽  
Visible Light Photocatalytic Activity ◽  
First Principles Study ◽  
Visible Light Photocatalytic

scholarly journals Impact of edge structures on interfacial interactions and efficient visible-light photocatalytic activity of metal–semiconductor hybrid 2D materials

2020 ◽  
Vol 10 (10) ◽  
pp. 3279-3289 ◽  
Author(s):  
Deobrat Singh ◽  
Pritam Kumar Panda ◽  
Nabil Khossossi ◽  
Yogendra Kumar Mishra ◽  
Abdelmajid Ainane ◽  
...  
Keyword(s):  
Optical Properties ◽  
Photocatalytic Activity ◽  
Visible Light ◽  
First Principles ◽  
2D Materials ◽  
First Principles Calculations ◽  
Interfacial Interactions ◽  
Electronic And Optical Properties ◽  
Visible Light Photocatalytic Activity ◽  
Visible Light Photocatalytic

The present work systematically investigates the structural, electronic, and optical properties of MoS2/Si2BN heterostructures based on first-principles calculations.

scholarly journals Towards high visible light photocatalytic activity in rare earth and N co-doped SrTiO3: a first principles evaluation and prediction

RSC Advances ◽  
2017 ◽  
Vol 7 (27) ◽  
pp. 16282-16289 ◽  
Author(s):  
Chao Zhang ◽  
Nan Jiang ◽  
Shiai Xu ◽  
Zheng Li ◽  
Xingliang Liu ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Rare Earth ◽  
Band Structure ◽  
Visible Light ◽  
Band Gap ◽  
First Principles ◽  
First Principles Calculations ◽  
Visible Light Photocatalytic Activity ◽  
Co Doped ◽  
Visible Light Photocatalytic

The band structure and photocatalytic activity of RE (La, Ce, Pr or Nd) mono-doped and RE–N co-doped SrTiO3 for band gap reduction are studied systematically using first principles calculations.

Insights into the mechanism of the enhanced visible-light photocatalytic activity of black phosphorus/BiVO4 heterostructure: a first-principles study

2018 ◽  
Vol 6 (39) ◽  
pp. 19167-19175 ◽  
Author(s):  
Yuxuan Chen ◽  
Tingting Shi ◽  
Pengyi Liu ◽  
Xinguo Ma ◽  
Lingling Shui ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Visible Light ◽  
Water Splitting ◽  
Visible Light Irradiation ◽  
First Principles ◽  
Black Phosphorus ◽  
Light Irradiation ◽  
Photocatalytic Water Splitting ◽  
Visible Light Photocatalytic Activity ◽  
Visible Light Photocatalytic

Photocatalytic water splitting was observed on black phosphorus/BiVO4 heterostructure under visible light irradiation.

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