Band gap tuning in nanodiamonds: First principle computational studies

Molecular Physics

Volumn 107, Issue 8-12, 2009, Pages 823-830

  Fokin, Andrey A ^a,b   Schreiner, Peter R ^b  

^a NATIONAL TECHNICAL UNIVERSITY OF UKRAINE   (Ukraine)

^b JUSTUS LIEBIG UNIVERSITY   (Germany)

Author keywords

DFT methods; Diamondoids; Electronic gaps; Nanodiamonds

Indexed keywords

A-DENSITY; BAND GAPS; BAND-GAP TUNING; C-H BOND; COMPUTATIONAL STUDIES; DFT METHODS; DIAMONDOIDS; ELECTRON WITHDRAWING GROUP; ELECTRON-DONATING; ELECTRONIC GAPS; FIRST-PRINCIPLES; HETEROATOMS; HYDROGEN-TERMINATED DIAMOND; IN-BAND; NANO DIAMOND; NANODIAMONDS; NON-ADDITIVE; QUANTUM CONFINEMENT EFFECTS; SEMICONDUCTOR APPLICATIONS;

DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ENERGY GAP; HYDROGEN; PROBABILITY DENSITY FUNCTION; TUNING;

DIAMONDS;

EID: 67650310811     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802649625     Document Type: Article

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