The effect of electronegative difference on the electronic structure and visible light photocatalytic activity of N-doped anatase TiO2 by first-principles calculations

2011 ◽  
Vol 98 (16) ◽  
pp. 162107 ◽  
Author(s):  
Dongqiu Zhao ◽  
Xiaowei Huang ◽  
Baoli Tian ◽  
Shaomin Zhou ◽  
Yuncai Li ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photocatalytic Activity ◽  
Visible Light ◽  
First Principles ◽  
Anatase Tio2 ◽  
First Principles Calculations ◽  
Visible Light Photocatalytic Activity ◽  
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.

Properties and photochemistry of valence-induced-Ti3+ enriched (Nb,N)-codoped anatase TiO2 semiconductors

2015 ◽  
Vol 17 (7) ◽  
pp. 4849-4853 ◽  
Author(s):  
Andrea Folli ◽  
Jonathan Z. Bloh ◽  
Anaïs Lecaplain ◽  
Rebecca Walker ◽  
Donald E. Macphee
Keyword(s):  
Photocatalytic Activity ◽  
Visible Light ◽  
Anatase Tio2 ◽  
Visible Light Photocatalytic Activity ◽  
Enhanced Conductivity ◽  
Visible Light Photocatalytic

Ti3+ enriched (Nb,N) codoped TiO2: insights into the mechanisms responsible for enhanced conductivity and visible light photocatalytic activity.

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