Ab Initio Prediction of Boron Compounds Arising from Borozene: Structural and Electronic Properties

Ab Initio Prediction of Boron Compounds Arising from Borozene: Structural and Electronic Properties

<p>Abstract</p> <p>Structure and electronic properties of two unusual boron clusters obtained by fusion of borozene rings have been studied by means of first principles calculations based on the generalized-gradient approximation of the density functional theory. Moreover, a semiem...

Full description

Bibliographic Details
Main Authors: La Magna A, Deretzis I, Pucci R, Forte G
Format: Article
Language:English
Published: SpringerOpen 2009-01-01
Series:Nanoscale Research Letters
Subjects:
Boron clusters
Borozene
DFT
NICS
Transport
Online Access:http://dx.doi.org/10.1007/s11671-009-9458-8

Internet

http://dx.doi.org/10.1007/s11671-009-9458-8

Similar Items