Screened Coulomb Hybrid DFT Study on Electronic Structure and Optical Properties of Anionic and Cationic Te-Doped Anatase TiO2

2013 ◽  
Vol 117 (25) ◽  
pp. 12942-12948 ◽  
Author(s):  
Moussab Harb
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Anatase Tio2 ◽  
Dft Study

A DFT study of the effect of OH groups on the optical, electronic, and structural properties of TiO2 nanoparticles

2015 ◽  
Vol 17 (7) ◽  
pp. 5321-5327 ◽  
Author(s):  
Olga Miroshnichenko ◽  
Sami Auvinen ◽  
Matti Alatalo
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Tio2 Nanoparticles ◽  
Structural Properties ◽  
Dft Method ◽  
Dft Study ◽  
Oh Groups ◽  
Electronic And Structural Properties

The effects of on-surface OH groups on the properties of small TiO2 particles have been studied with the DFT method. The OH groups affect the geometric and electronic structure of the clusters, resulting in changes in the optical properties.

DFT study on electronic structure and optical properties of N-doped, S-doped, and N/S co-doped SrTiO3

2012 ◽  
Vol 407 (24) ◽  
pp. 4649-4654 ◽  
Author(s):  
Chao Zhang ◽  
Yongzhong Jia ◽  
Yan Jing ◽  
Ying Yao ◽  
Jun Ma ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Dft Study ◽  
Co Doped

Electronic structure and optical properties of β-CuSCN: A DFT study

2020 ◽  
Vol 28 ◽  
pp. 164-167
Author(s):  
Manushi J. Patel ◽  
Sanjeev K. Gupta ◽  
P.N. Gajjar
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Dft Study

A DFT study on the electronic structure, magnetic and optical properties of Er doped ZnO: Effect of Er concentration and native defects

2021 ◽  
pp. e00627
Author(s):  
Mohamed Achehboune ◽  
Mohammed Khenfouch ◽  
Issam Boukhoubza ◽  
Issam Derkaoui ◽  
Bakang Moses Mothudi ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Dft Study ◽  
Native Defects ◽  
Doped Zno ◽  
Er Doped
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