Optoelectronic properties of passivated and solvated (ZnO) 6 nanocluster – A DFT/TD-DFT study

2016 ◽  
Vol 181 ◽  
pp. 248-258 ◽  
Author(s):  
S. Gopalakrishnan ◽  
P. Kolandaivel
Keyword(s):  
Optoelectronic Properties ◽  
Dft Study ◽  
Td Dft

scholarly journals Efficient tuning of zinc phthalocyanine-based dyes for dye-sensitized solar cells: a detailed DFT study

RSC Advances ◽  
2021 ◽  
Vol 11 (44) ◽  
pp. 27570-27582
Author(s):  
Sabir Ali Siddique ◽  
Muhammad Arshad ◽  
Sabiha Naveed ◽  
Muhammad Yasir Mehboob ◽  
Muhammad Adnan ◽  
...  
Keyword(s):  
Solar Cells ◽  
Quantum Chemical ◽  
Dye Sensitized Solar Cells ◽  
Optoelectronic Properties ◽  
Dft Study ◽  
Zinc Phthalocyanine ◽  
Dye Sensitized ◽  
Td Dft ◽  
Quantum Chemical Approach ◽  
Sensitized Solar Cells

We used a quantum chemical approach to investigate the optoelectronic properties of dyes T1–T5 for dye-sensitized solar cells using DFT and TD-DFT computation. The newly designed molecules exhibited outstanding photovoltaic and optoelectronic properties.

DFT/TD-DFT Study on the Electronic Structures and Optoelectronic Properties of Several Blue-Emitting Iridium(III) Complexes

2010 ◽  
Vol 114 (24) ◽  
pp. 6559-6564 ◽  
Author(s):  
Lili Shi ◽  
Bo Hong ◽  
Wei Guan ◽  
Zhijian Wu ◽  
Zhongmin Su
Keyword(s):  
Electronic Structures ◽  
Optoelectronic Properties ◽  
Dft Study ◽  
Td Dft

A DFT study on optoelectronic properties of near-infrared In0.53Ga0.47As (001), (011) and (111) surfaces

2021 ◽  
Vol 149 ◽  
pp. 106771
Author(s):  
Qianglong Fang ◽  
Yang Shen ◽  
Zesen Liu ◽  
Xiaodong Yang ◽  
Shuqin Zhang ◽  
...  
Keyword(s):  
Near Infrared ◽  
Optoelectronic Properties ◽  
Dft Study

Aromatic Excimers: Ab Initio and TD-DFT Study

2012 ◽  
Vol 9 (1) ◽  
pp. 847-856 ◽  
Author(s):  
Maciej Kołaski ◽  
C. R. Arunkumar ◽  
Kwang S. Kim
Keyword(s):  
Ab Initio ◽  
Dft Study ◽  
Td Dft
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