Molecular Modification of A–π–D–π–A‐Type Small‐Molecule Donors for High‐Performance Photovoltaics

Solar RRL, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 16, 2025

Molecular engineering serves as a prevalent strategy in solar cells architecture toward robust, reliable, and highly efficient light‐electricity conversion devices. Specifically, two well‐known strategies, i.e., halogen substitution π‐spacer modification, are extensively introduced. However, the underlying photovoltaics mechanism on benzodithiophene terthiophene rhodamine (BTR) remains lacking. Herein, combined approach of density functional theory (DFT) time‐dependent DFT calculations is systematically introduced to unravel implication terms structure–property relationships. The results suggest that BTR molecular backbone can effectively reduce frontier orbital energy levels molecule. Moreover, extending increase conjugation length backbone, which improving photoelectric properties small molecules. B 3 , addition pair thiophene rings BTR, with lowest gap reorganization energy, relatively exciton binding strongest light absorption spectra, promising candidate for donor In addition, by combining these modification strategies (i.e., chlorinated ), overall performance new ‐Cl molecule be further improved compared . findings provide theoretical guidance rational design novel A–π–D–π–A‐type

Language: Английский

Strategies and Mechanisms To Minimize Energy Loss in Non-Fullerene Bulk Heterojunction Organic Solar Cells: Experimental and Computational Approaches

Energy & Fuels, Journal Year: 2025, Volume and Issue: unknown

Published: March 6, 2025

Language: Английский

Organic Solar Cells Based on Non‐Fullerene Low Molecular Weight Organic Semiconductor Molecules

ChemSusChem, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 6, 2024

Abstract The development of narrow bandgap A‐D‐A‐ and ADA′DA‐type non‐fullerene small molecule acceptors (NFSMAs) along with donors (SMDs) have led to significant progress in all‐small organic solar cells. Remarkable power conversion efficiencies, nearing the range 17–18 %, been realized. These efficiency values are on par those achieved OSCs based polymeric donors. commercial application photovoltaic technology requires design more efficient conjugated acceptors. In recent years precise tuning optoelectronic properties has attracted considerable attention contributed greatly advancement all‐SM‐OSCs. Several reviews published this field, but focus review concerns advances research using SMDs NFSMAs from 2018 present. covers made binary ternary OSCs, effects solid additives performance all‐SM‐OSCs, recently developed layer‐by‐layer deposition method for these OSCs. Finally, we present our perspectives a concise outlook further all‐SM‐OSCs their application.

Language: Английский