Electronic, optical and photocatalytic properties of three-layer perovskite Dion–Jacobson phase CsBa2M3O10(M = Ta, Nb): a DFT study

RSC Advances ◽  
2015 ◽  
Vol 5 (108) ◽  
pp. 88725-88735 ◽  
Author(s):  
Ehsan Zahedi ◽  
Mirabbos Hojamberdiev ◽  
Maged F. Bekheet
Keyword(s):  
Optical Properties ◽  
Uv Light ◽  
Dft Method ◽  
Dft Study ◽  
Photocatalytic Properties ◽  
Electronic And Optical Properties

This work discloses structural, electronic and optical properties of three-layer perovskite Dion–Jacobson phase CsBa2M3O10(M = Ta, Nb) using the DFT method. These semiconductors are UV-light-responsive photocatalysts.

Effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba5M4O15 (M = Ta, Nb): a DFT study using HSE06

RSC Advances ◽  
2016 ◽  
Vol 6 (66) ◽  
pp. 61150-61161 ◽  
Author(s):  
Ehsan Zahedi ◽  
Mirabbos Hojamberdiev ◽  
Maged F. Bekheet
Keyword(s):  
Crystal Structure ◽  
Density Functional Theory ◽  
Optical Properties ◽  
Density Functional ◽  
Uv Light ◽  
Dft Study ◽  
Functional Theory ◽  
Electronic And Optical Properties ◽  
Effective Masses

Density functional theory has been used to investigate crystal structure, effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba5M4O15 (M = Ta, Nb) as UV-light-responsive photocatalysts.

Electronic and Optical Properties of CsSnI3−yCly (y = 0, 1, 2, 3) Perovskites: a DFT Study

2018 ◽  
Vol 48 (2) ◽  
pp. 1243-1251 ◽  
Author(s):  
R. Padmavathy ◽  
A. Amudhavalli ◽  
M. Manikandan ◽  
R. Rajeswarapalanichamy ◽  
K. Iyakutti ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Study ◽  
Electronic And Optical Properties

Structural, electronic and optical properties of copper-doped SrTiO3 perovskite: A DFT study

2019 ◽  
Vol 552 ◽  
pp. 52-57 ◽  
Author(s):  
Muhammad Rizwan ◽  
Adnan Ali ◽  
Zahid Usman ◽  
N.R. Khalid ◽  
H.B. Jin ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Study ◽  
Electronic And Optical Properties

DFT study of the electronic and optical properties of ternary chalcogenides AlX2Te4

2019 ◽  
Vol 6 (11) ◽  
pp. 116314 ◽  
Author(s):  
Sikander Azam ◽  
Muhammad Irfan ◽  
Zeesham Abbas ◽  
Malika Rani ◽  
Tahira Saleem ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Study ◽  
Electronic And Optical Properties

Tunable electronic and optical properties of the WS2/IGZO heterostructure via an external electric field and strain: a theoretical study

2019 ◽  
Vol 21 (27) ◽  
pp. 14713-14721 ◽  
Author(s):  
Hongyu Tang ◽  
Chunjian Tan ◽  
Huiru Yang ◽  
Kai Zheng ◽  
Yutao Li ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electric Field ◽  
Visible Light ◽  
External Electric Field ◽  
Theoretical Study ◽  
Uv Light ◽  
Mechanical Strain ◽  
Electronic And Optical Properties

The external mechanical strain can efficiently modulate the photoresponse of the WS2/IGZO heterostructure to the UV light and the visible light.

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