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El racimo B35 con una vacía doble-hexagonal: un nuevo y más flexible motivo estructural para el borofeno

Wei-Li Li¹, Qiang Chen, Wen-Juan Tian

¹Department of Chemistry, Brown University , Providence, Rhode Island 02912, United States.

Journal of the American Chemical Society

|August 21, 2014

Resumen

Los investigadores descubrieron un nuevo cúmulo de boro, B35, con una vacante doble hexagonal. Este hallazgo avanza en el desarrollo del borofeno, láminas de boro atómicamente delgadas con densidades de agujero hexagonales sintonizables.

Área de la Ciencia:

Ciencia de los materiales Ciencia de los materiales.
Física de la materia condensada Física de la materia condensada
Nanotecnología La nanotecnología es la nanotecnología.

Sus antecedentes:

La deficiencia de electrones del boro elemental impide las estructuras similares al grafeno.
Las celosías de boro triangulares con huecos hexagonales son teóricamente estables.
Estudios previos confirmaron la viabilidad de láminas de boro (borofeno) delgadas como átomos con vacantes hexagonales.

Objetivo del estudio:

Informar de un nuevo cúmulo de boro, B35, con una vacante doble hexagonal.
Explorar nuevos motivos estructurales para el borofeno.
Para proporcionar más pruebas experimentales de la viabilidad del borofeno.

Principales métodos:

Búsquedas mínimas globales de estructuras de racimos de boro.
Espectroscopia de fotoelectrones del cúmulo B35..
Análisis computacional de propiedades electrónicas y estructurales.

Principales resultados:

B35 y B35(-) exhiben estructuras hexagonales planas con una vacante doble hexagonal.
B35(-) muestra una triple aromaticidad π con 11 enlaces π deslocalizados.
El grupo B35 ofrece un nuevo motivo estructural para el borofeno.

Conclusiones:

El grupo B35 representa un motivo estructural flexible para el borofeno.
El borofeno puede ser diseñado con diferentes densidades de agujero hexagonal.
Esta investigación refuerza la evidencia experimental de la existencia y el potencial del borofeno.

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