Comparative study of electronic structure and optical properties of a series of Pt(II) complexes containing different electron-donating and -withdrawing groups: a DFT study

2009 ◽  
pp. n/a-n/a ◽  
Author(s):  
Xiao-Na Li ◽  
Zhi-Jian Wu ◽  
Hong-Jie Zhang
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Comparative Study ◽  
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.

Comparative study of electronic and optical properties of graphene and germanene: DFT study

Optik ◽  
2018 ◽  
Vol 158 ◽  
pp. 693-698 ◽  
Author(s):  
M.L. Ould NE ◽  
A.G. El hachimi ◽  
M. Boujnah ◽  
A. Benyoussef ◽  
A. El Kenz
Keyword(s):  
Optical Properties ◽  
Comparative Study ◽  
Dft Study ◽  
Electronic And 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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