Surface structure and properties of functionalized nanodiamonds: A first-principles study

Nanotechnology

Volumn 22, Issue 6, 2011, Pages

  Datta, Aditi ^a   Kirca, Mesut ^a   Fu, Yao ^a   To, Albert C ^a  

^a University of Pittsburgh   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBONYL OXYGEN; CARBOXYL GROUPS; CLASSICAL MECHANICS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DETONATION NANODIAMONDS; DRUG MOLECULES; FIRST-PRINCIPLES STUDY; FUNCTIONALIZATIONS; FUNCTIONALIZED; INTERNAL STRUCTURE; MOLECULAR MECHANICS SIMULATION; NANO-DIAMONDS; QUANTUM MECHANICS; STRUCTURE AND PROPERTIES;

DIAMONDS; DRUG INTERACTIONS; FUNCTIONAL GROUPS; MOLECULAR MECHANICS; OPTIMIZATION; OXYGEN; QUANTUM THEORY; SURFACE PROPERTIES; SURFACE STRUCTURE;

DENSITY FUNCTIONAL THEORY;

EID: 79251540875     PISSN: 09574484     EISSN: 13616528     Source Type: Journal    
DOI: 10.1088/0957-4484/22/6/065706     Document Type: Article

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