ArticleJournal of molecular modeling2021
Tuning the optoelectronic properties of triphenylamine (TPA) based small molecules by modifying central core for photovoltaic applications.
Article in Journal of molecular modeling, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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10 citing papers in PubMed, 93 citations in OpenAlex.
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- Synthesis and Study of the Optical Properties of a Conjugated Polymer with Configurational Isomerism for Optoelectronics.Materials (Basel, Switzerland) · 2023Article
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- Silver cluster doped graphyne (GY) with outstanding non-linear optical properties.RSC advances · 2022Article
- Shedding light on the optical and nonlinear optical properties of superalkali-doped borophene.Journal of molecular modeling · 2022Article
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5 authors at 1 institution in 1 country.
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No grant is acknowledged in the PubMed record.
Abstract
Small donor molecules based on fused ring acceptors exhibit encouraging photovoltaic properties and expeditious advancement in organic solar cells. Central core modification of non-fullerene acceptor materials is a favorable methodology to enhance electronic properties and efficiency for OSCs. Herein, four new donor molecules, namely, BDTM1, PYRM2, ANTM3, and NM4 are designed with a strong donor moiety triphenylamine, tetracyanobutadiene as acceptor unit, and thiophene as spacer linked to a modified central core. Geometric parameters, optical, electrical properties, effect of central core modification on tailored molecules BDTM1-NM4 are investigated and compared with reference DPPR. DFT together with TDDFT approaches using MPW1PW91 functional is used to study key parameters like absorption maximum (λ
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