Prediction of Two-Dimensional Phase of Boron with Anisotropic Electric Conductivity.
J Phys Chem Lett
; 8(6): 1224-1228, 2017 Mar 16.
Article
en En
| MEDLINE
| ID: mdl-28247758
ABSTRACT
Two-dimensional (2D) phases of boron are rare and unique. Here we report a new 2D all-boron phase (named the π phase) that can be grown on a W(110) surface. The π phase, composed of four-membered rings and six-membered rings filled with an additional B atom, is predicted to be the most stable on this support. It is characterized by an outstanding stability upon exfoliation off of the W surface, and unusual electronic properties. The chemical bonding analysis reveals the metallic nature of this material, which can be attributed to the multicentered π-bonds. Importantly, the calculated conductivity tensor is anisotropic, showing larger conductivity in the direction of the sheet that is in-line with the conjugated π-bonds, and diminished in the direction where the π-subsystems are connected by single σ-bonds. The π-phase can be viewed as an ultrastable web of aligned conducting boron wires, possibly of interest to applications in electronic devices.
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1
Colección:
01-internacional
Base de datos:
MEDLINE
Tipo de estudio:
Prognostic_studies
/
Risk_factors_studies
Idioma:
En
Revista:
J Phys Chem Lett
Año:
2017
Tipo del documento:
Article
País de afiliación:
Estados Unidos