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Transferencia coherente de carga ultrarrápida en una mezcla fotovoltaica orgánica

Sarah Maria Falke¹, Carlo Andrea Rozzi², Daniele Brida³

¹Institut für Physik, Carl von Ossietzky Universität, 26129 Oldenburg, Germany. Center of Interface Science, Carl von Ossietzky Universität, 26129 Oldenburg, Germany.

Science (New York, N.Y.)

|May 31, 2014

Resumen

Descubrimos una transferencia de carga ultrarrápida en materiales orgánicos fotovoltaicos. Las vibraciones coherentes impulsan la transferencia de electrones, crucial para la deslocalización de la carga en estos sistemas.

Área de la Ciencia:

Ciencia de los materiales Ciencia de los materiales.
Química Física es la química física.
Electrónica orgánica y electrónica orgánica.

Sus antecedentes:

Los dispositivos orgánicos fotovoltaicos (OPV) utilizan mezclas de polímeros conjugados y derivados de fullereno.
La generación eficiente de carga en los OPV se basa en la transferencia ultrarrápida de electrones inducida por la luz de los donantes de polímeros a los aceptadores de fullereno.

Objetivo del estudio:

Para dilucidar la dinámica cuántica inicial de la generación de carga en sistemas de polímeros y fullereno.
Investigar el papel del movimiento vibratorio coherente en la transferencia de electrones ultrarrápida.

Principales métodos:

Observación experimental del movimiento vibratorio coherente en moléculas de fullereno a través de la excitación óptica impulsiva de donantes de polímeros.
Comparación con simulaciones teóricas de primer principio para evidenciar la transferencia coherente de electrones.

Principales resultados:

Movimiento vibratorio coherente observado del aceptor de fullereno después de la excitación.
Evidencia de transferencia coherente de electrones entre el donante y el aceptante.
Se observaron oscilaciones de la carga transferida con un período de 25 femtosegundos, coincidiendo con los modos de vibración.

Conclusiones:

El acoplamiento vibrónico coherente entre los grados de libertad electrónicos y nucleares es crítico para la deslocalización y transferencia de carga.
Este mecanismo es clave en los sistemas fotovoltaicos orgánicos no unidos covalentemente.

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