How small nanodiamonds can be? MD study of the stability against graphitization

Diamond and Related Materials

Volumn 33, Issue , 2013, Pages 78-84

  Kaviani, Moloud ^a   Deák, Peter ^a   Aradi, Bálint ^a   Köhler, Thomas ^a   Frauenheim, Thomas ^a  

^a UNIVERSITY OF BREMEN   (Germany)

Author keywords

Graphitization; Keywords; Molecular dynamics; Nanodiamond; Tight binding density functional theory

Indexed keywords

BIOMEDICAL APPLICATIONS; CRITICAL SIZE; FACETED DIAMONDS; HIGH TEMPERATURE; IN-VACUUM; KEYWORDS; LOWER LIMITS; NANO DIAMOND; PRIMARY EFFECTS; SMALL DIAMONDS; SURFACE CARBON; THERMAL EQUILIBRATIONS; TIGHT BINDING;

COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; DIAMONDS; GRAPHITE; GRAPHITIZATION; MEDICAL APPLICATIONS; MOLECULAR DYNAMICS; OXYGEN;

NANODIAMONDS;

EID: 84873889225     PISSN: 09259635     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.diamond.2013.01.002     Document Type: Article

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