A two-step MM and QM/MM approach to model AIEE of aryloxy benzothiadiazole derivatives for optoelectronic applications-Reference-Cited by-同舟云学术

A two-step MM and QM/MM approach to model AIEE of aryloxy benzothiadiazole derivatives for optoelectronic applications

Published:2022 Issue:6 Volume:24 Page:4051-4064
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Samuvel Michael David¹^ORCID,Serangolam Krishnasami Sridhar¹²^ORCID,Vijay Solomon Rajadurai¹^ORCID

Affiliation:

1. Department of Chemistry, Madras Christian College (Autonomous) [Affiliated to the University of Madras], East Tambaram, Chennai – 600 059, Tamil Nadu, India

2. Department of Chemistry, Government Arts College (Autonomous) [Affiliated to the University of Madras], Nandanam, Chennai – 600 035, Tamil Nadu, India

Abstract

The fluorescence of benzothiadiazole coupled electron acceptors intensifies upon aggregation resulting in near-infrared emission for nitro substituents, as determined using DFT calculations.

Funder

Science and Engineering Research Board

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP05225J

Reference72 articles.

1. B.O’Regan and M.Grätzel , A Low-Cost, High-Efficiency Solar Cell Based on Dye-Sensitized Colloidal TiO2 Films , Renewable Energy , Routledge , 2018 , pp. 208–213

2. Review on dye-sensitized solar cells (DSSCs): Fundamental concepts and novel materials

3. A combined spectroscopic and TDDFT study of natural dyes extracted from fruit peels of Citrus reticulata and Musa acuminata for dye-sensitized solar cells