New crystal structure prediction of fully hydrogenated borophene by first principles calculations

Abstract New crystal structures of fully hydrogenated borophene (borophane) have been predicted by first principles calculation. Comparing with the chair-like borophane (C-boropane) that has been reported in literature, we obtained four new borophane conformers with much lower total-energy. The most...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Zhiqiang Wang, Tie-Yu Lü, Hui-Qiong Wang, Yuan Ping Feng, Jin-Cheng Zheng
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
Materias:
R
Q
Acceso en línea:https://doaj.org/article/2c87e6983cdc49c7b45883465ef320cf
Etiquetas: Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares