Molecular-dynamics-based study of the collisions of hyperthermal atomic oxygen with graphene using the ReaxFF reactive force field

Journal of Physical Chemistry A

Volumn 115, Issue 46, 2011, Pages 13269-13280

  Goverapet Srinivasan, Sriram ^a   Van Duin, Adri C T ^a  

^a The Pennsylvania State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC OXYGEN; BOTTOM LAYERS; DEFECT FORMATION; EROSION PROCESS; FUNCTIONALIZED; GRAPHENE SHEETS; HYPERTHERMAL ATOMIC OXYGEN; HYPERTHERMAL COLLISIONS; INTERLAYER BONDING; LAYER-BY-LAYERS; MOLECULAR DYNAMICS SIMULATIONS; OXYGEN ATOM; REACTION MECHANISM; REACTIVE FORCE FIELD; SECOND LAYER; SINGLE VACANCIES; SUCCESSIVE IMPACTS; SURFACE CARBON; TWO LAYERS; TWO STAGE;

ATOMS; DYNAMICS; EROSION; GRAPHENE; MOLECULAR DYNAMICS; MOLECULAR OXYGEN; REACTION KINETICS;

OXYGEN VACANCIES;

GRAPHITE; OXYGEN;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; TEMPERATURE;

GRAPHITE; MOLECULAR DYNAMICS SIMULATION; OXYGEN; TEMPERATURE;

EID: 81555201635     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp207179x     Document Type: Article

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