Spontaneous graphitization of ultrathin cubic structures: A computational study

Nano Letters

Volumn 14, Issue 12, 2014, Pages 7126-7130

  Sorokin, Pavel B ^a,b,c   Kvashnin, Alexander G ^b,c   Zhu, Zhen ^a   Tománek, David ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b TECHNOLOGICAL INSTITUTE FOR SUPERHARD AND NOVEL CARBON MATERIALS   (Russian Federation)

^c MOSCOW INSTITUTE OF PHYSICS AND TECHNOLOGY   (Russian Federation)

Author keywords

ab initio; DFT; Graphitization; structural phase transition; surface energy; ultrathin films

Indexed keywords

CALCULATIONS; GRAPHITE; GRAPHITIZATION; INTERFACIAL ENERGY;

AB INITIO; ATOMIC ARRANGEMENT; COMPUTATIONAL STUDIES; DFT; ENERGY REDUCTION; GRAPHITIC STRUCTURES; LAYERED SYSTEMS; STRUCTURAL PHASE TRANSITION;

ULTRATHIN FILMS;

EID: 84916624093     PISSN: 15306984     EISSN: 15306992     Source Type: Journal    
DOI: 10.1021/nl503673q     Document Type: Article

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