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Observación directa de la relación entre la topología molecular y la morfología a granel para un material π-conjugado

Martin T Seifrid¹, G N Manjunatha Reddy², Cheng Zhou¹

¹Center for Polymers and Organic Solids, Department of Chemistry and Biochemistry , University of California, Santa Barbara , Santa Barbara , California 93106 , United States.

Journal of the American Chemical Society

|February 23, 2019

Resumen

Los cambios estructurales en los semiconductores orgánicos afectan el rendimiento. Este estudio revela cómo la temperatura afecta la forma molecular de TT, influyendo en su organización en estado sólido y propiedades del material.

Área de la Ciencia:

Ciencias de los materiales
Productos electrónicos orgánicos
Química del estado sólido

Sus antecedentes:

Los semiconductores orgánicos de alto rendimiento dependen de las variaciones estructurales a nanoescala.
Las características morfológicas dictan las propiedades físicas y la eficiencia del dispositivo.

Objetivo del estudio:

Investigar las características estructurales locales dependientes de la temperatura de la pequeña molécula conjugada TT.
Para correlacionar estas estructuras locales con las propiedades macroscópicas y la organización del estado sólido.

Principales métodos:

Espectroscopia de resonancia magnética nuclear (RMN) in situ.
Los cálculos teóricos.
Análisis de la topología molecular y la conformación.

Principales resultados:

Se observaron características estructurales locales distintas dependientes de la temperatura en TT.
Los estados lamelares y de fusión exhiben diferentes topologías moleculares.
Las conformaciones planas están asociadas con estados lamelares, mientras que las conformaciones retorcidas están vinculadas a estados de fusión.

Conclusiones:

Una transformación topológica en TT ocurre con cambios de temperatura.
Esta transformación influye en la organización del estado sólido y las propiedades materiales.
Ofrece una nueva estrategia para diseñar materiales semiconductores orgánicos.

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