TCNE/TCNQ engineering of benzothiadiazole–triphenylamine co-modified β-functionalized porphyrins for advancing their optoelectronic and solar cell properties

New Journal of Chemistry 2026

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Authors: Pankaj Kumar Kushwaha, Prabhat Gautam, Anurag Kumar Gautam, Vinay Kumar Sharma, Sunil K. Srivastava
DOI: 10.1039/d6nj02404a
Cited by: 1
References: 69

Abstract

DFT/TD-DFT calculations demonstrate that TCNE/TCNQ post-functionalization of β-porphyrins (PD1–PD4) enhances intramolecular charge transfer, broadens the absorption region, narrows the band gap, and yields the highest predicted PCE (∼12.8%) for PD4.

Fields of Study & Subjects

Porphyrin and Phthalocyanine Chemistry Organic Electronics and Photovoltaics Organic Light-Emitting Diodes Research

Publication details

Journal / source
New Journal of Chemistry
Publisher
Royal Society of Chemistry (RSC)
Volume
50
Issue
32
Pages
13347–13359
Publication date
1 January 2026
Language
EN