Novel push-pull fluorescent dyes – 7-(diethylamino)furo- and thieno[3,2-c]coumarins derivatives: structure, electronic spectra and TD-DFT study

2018 ◽  
Vol 1160 ◽  
pp. 215-221 ◽  
Author(s):  
Igor O. Akchurin ◽  
Anna I. Yakhutina ◽  
Andrei Y. Bochkov ◽  
Natalya P. Solovjova ◽  
Michael G. Medvedev ◽  
...  
Keyword(s):  
Electronic Spectra ◽  
Fluorescent Dyes ◽  
Dft Study ◽  
Td Dft

Heteroatom effect on photophysical properties of 2-(2′-hydroxyphenyl)benzimidazole and its derivatives as fluorescent dyes: A TD-DFT study

2017 ◽  
Vol 188 ◽  
pp. 275-282 ◽  
Author(s):  
Natthaporn Manojai ◽  
Rathawat Daengngern ◽  
Khanittha Kerdpol ◽  
Chanisorn Ngaojampa ◽  
Nawee Kungwan
Keyword(s):  
Fluorescent Dyes ◽  
Photophysical 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 study of the effect of different metals on structures and electronic spectra of some organic-metal compounds as sensitizing dyes

2014 ◽  
Vol 116 (2) ◽  
pp. 263-273
Author(s):  
Guodong Tang ◽  
Rongqing Li ◽  
Shanshan Kou ◽  
Tingling Tang ◽  
Yu Zhang ◽  
...  
Keyword(s):  
Electronic Spectra ◽  
Dft Study ◽  
Organic Metal ◽  
Metal Compounds

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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