Evaporation processes of water molecules from graphene edge: DFT and MD study

Computational Materials Science

Volumn 50, Issue 9, 2011, Pages 2640-2643

  Abe, Shigeaki ^a   Nagoya, Yoshinori ^a   Watari, Fumio ^a   Tachikawa, Hiroto ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON ATOMS; DISSOCIATION PRODUCTS; EDGE REGION; EVAPORATION PROCESS; GEOMETRY OPTIMIZATION; GRAPHENE SHEETS; HIGH TEMPERATURE; HYDROGEN ATOMS; LARGE SYSTEM; LOW TEMPERATURES; MODEL SYSTEM; THEORETICAL RESULT; WATER CLUSTER; WATER EVAPORATION; WATER MOLECULE;

ATOMS; DISSOCIATION; EVAPORATION; GRAPHENE; HYDROGEN; PHASE TRANSITIONS;

MOLECULES;

EID: 79957481186     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.04.009     Document Type: Article

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