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Cadenas laterales bifenílicas no planas conjugadas 3D: su papel exclusivo en la inducción de potencial electrostático

Seonghun Jeong¹, Zhe Sun¹, Yongjoon Cho¹

¹School of Energy and Chemical Engineering, Ulsan National Institute of Science and Technology (UNIST), 50 UNIST-gil, Ulju-gun, Ulsan, 44919, South Korea.

Small (Weinheim an der Bergstrasse, Germany)

|August 29, 2025

Resumen

La introducción de cadenas laterales de bifenilo en los aceptores de no fullereno (NFAs) en las células solares orgánicas (OSC) reduce la pérdida de energía. Este diseño molecular mejora la eficiencia de conversión de energía (PCE) al minimizar la pérdida de energía no radiativa.

Área de la Ciencia:

Ciencias de los materiales
Productos electrónicos orgánicos
Las instalaciones fotovoltaicas

Sus antecedentes:

Alcanzar una alta eficiencia de conversión de energía (PCE) en las células solares orgánicas (OSC) basadas en aceptores de no fullereno (NFA) requiere minimizar la pérdida de energía, especialmente la pérdida de energía no radiativa.
Las estrategias actuales de diseño molecular para la optimización de la pérdida de energía son complejas.

Objetivo del estudio:

Investigar el impacto de la introducción de cadenas laterales bifenílicas no planas conjugadas tridimensionales en los NFA de la serie Y en las propiedades moleculares y el rendimiento de la OSC.
Desarrollar un enfoque de diseño molecular más simple para optimizar la pérdida de energía en los OSC de alto rendimiento.

Principales métodos:

Síntesis de un nuevo NFA (BPY) con cadenas laterales de bifenilo.
Fabricación y caracterización de OSC utilizando mezclas de PM6:BPY y PM6:Y6.
Análisis de las interacciones intermoleculares, el potencial electrostático y la dinámica de carga.

Principales resultados:

Los OSC basados en BPY demostraron un rendimiento superior en comparación con los OSC basados en Y6.
La introducción de cadenas laterales de bifenilo mejoró las interacciones intermoleculares y la dinámica de carga.
Los OSC ternales (PM6:BTP-eC9 con aditivo BPY) lograron un PCE alto del 19,23% debido a la mejora de la tensión de circuito abierto y el factor de llenado.
Se observó una pérdida de energía no radiativa minimizada, atribuida al apilamiento de π-π debilitado.

Conclusiones:

Las cadenas laterales de bifenilo modulan eficazmente las propiedades de los NFA, mejorando las interacciones intermoleculares y reduciendo la pérdida de energía.
Este diseño molecular ofrece una estrategia prometedora para desarrollar células solares orgánicas de alto rendimiento.
El estudio proporciona información sobre la optimización de la pérdida de energía no radiativa para las OSC eficientes.

Palabras clave:

cadena lateral de bifenilo Potencial electrostático aceptor de no fullereno pérdida de energía no radiativa Celdas solares orgánicas

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