Open AccessEvaluating Zn‐Porphyrin‐Based Near‐IR‐Sensitive Non‐Fullerene Acceptors for Efficient Panchromatic Organic Solar Cells
Author(s) -
Khan Muhammad Usman,
Imran. Muhammad,
Rehman Muhammad Fayyaz ur,
Assiri Mohammed A.,
Mashhadi Syed Muddassir Ali,
Akram Muhammad Safwan,
Lu Changrui
Publication year - 2022
Publication title -
chemistryopen
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.644
H-Index - 29
ISSN - 2191-1363
DOI - 10.1002/open.202200047
Subject(s) - panchromatic film , porphyrin , fullerene , organic solar cell , photochemistry , chemistry , materials science , nanotechnology , organic chemistry , multispectral image , computer science , artificial intelligence , polymer
Porphyrin‐based non‐fullerene acceptors (NFAs) have shown pronounced potential for assembling low‐bandgap materials with near‐infrared (NIR) characteristics. Herein, panchromatic‐type porphyrin‐based molecules (POR1–POR5) are proposed by modulating end‐capped acceptors of a highly efficient porphyrin‐based NFA PORTFIC(POR) for organic solar cells (OSCs). Quantum chemical structure‐property relationship has been studied to discover photovoltaic and optoelectronic characteristics of POR1–POR5. Results show that optoelectronic properties of the POR1–POR5 are better in all aspects when compared with the reference POR. All proposed NFAs particularly POR5 proved to be the preferable porphyrin‐based NIR sensitive NFA for OSCs applications owing to lower energy gap (1.56 eV ), transition energy (1.11 eV ), binding energy ( E b =0.986 eV ), electron mobility (λ e =0.007013 E h ), hole mobility ( λ h =0.004686 E h ), high λ max =1116.27 nm and open‐circuit voltage ( V oc =1.96 V ) values in contrast to the reference POR and other proposed NFAs. This quantum chemical insight provides sufficient evidence about excellent potential of the proposed porphyrin‐based NIR sensitive NFA derivatives for their use in OSCs.