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

Nanoscale Research Letters

Volumn 5, Issue 1, 2010, Pages 158-163

  Forte, G ^a   La Magna, A ^b   Deretzis, I ^a,b   Pucci, R ^a  

^a UNIVERSITY OF CATANIA   (Italy)

^b CNR IMM   (Italy)

Author keywords

Boron clusters; Borozene; DFT; NICS; Transport

Indexed keywords

AB INITIO PREDICTION; AROMATICITIES; BORON CLUSTERS; COHESIVE ENERGIES; DENSITY OF STATE; DIFFERENTIAL CONDUCTANCES; ELECTRON TRANSPORT; ENERGY GAP VALUES; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; HOMO-LUMO GAPS; LANDAUER; LOW BIAS; PURE BORON; SEMI-EMPIRICAL; TIGHT BINDING MODEL; TRANSPORT CALCULATION;

BORON; BORON COMPOUNDS; CARBON CLUSTERS; ELECTRONIC PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 77952889027     PISSN: 19317573     EISSN: 1556276X     Source Type: Journal    
DOI: 10.1007/s11671-009-9458-8     Document Type: Article

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