The structural properties of silicon-doped DBrTBT/ZnSe solar cell materials: a theoretical study

2020 ◽  
Vol 44 (35) ◽  
pp. 15289-15296
Author(s):  
Fulan Zhang ◽  
Binfang Yuan ◽  
Jianhua Xu ◽  
Huisheng Huang ◽  
Laicai Li
Keyword(s):  
Solar Cell ◽  
Structural Properties ◽  
Theoretical Study ◽  
Molecular Design ◽  
Silicon Doped

A new molecular design for solar cell materials is reported for the silicon-doped 4,7-di(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole adsorbed on ZnSe(100) and ZnSe(111) surfaces.

Theoretical study on structural properties of silicon-doped benzothiazole/SnO2 (1 0 0): A novel molecular design for solar cells

2020 ◽  
Vol 501 ◽  
pp. 144054 ◽  
Author(s):  
Fulan Zhang ◽  
Jianhua Xu ◽  
Xiaogang Guo ◽  
Binfang Yuan ◽  
Huisheng Huang ◽  
...  
Keyword(s):  
Solar Cells ◽  
Structural Properties ◽  
Theoretical Study ◽  
Molecular Design ◽  
Silicon Doped

The electronic properties of three popular high spin complexes [TM(acac)3, TM = Cr, Mn, and Fe] revisited: an experimental and theoretical study

2017 ◽  
Vol 19 (36) ◽  
pp. 24840-24854 ◽  
Author(s):  
S. Carlotto ◽  
L. Floreano ◽  
A. Cossaro ◽  
M. Dominguez ◽  
M. Rancan ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Structural Properties ◽  
High Spin ◽  
Spectroscopic Data ◽  
Theoretical Study ◽  
Combined Use ◽  
Electronic And Structural Properties ◽  
Bonding Scheme

The combined use of NEXAFS spectroscopic data and DFT results on TM(acac)3(TM = Cr, Mn, Fe) allowed us to look into the TM–ligand bonding scheme and to rationalize the peculiar electronic and structural properties of the title complexes.

Sign in / Sign up

Export Citation Format

Share Document