On the water-carbon interaction for use in molecular dynamics simulations of graphite and carbon nanotubes

Journal of Physical Chemistry B

Volumn 107, Issue 6, 2003, Pages 1345-1352

  Werder, T ^a   Walther, J H ^a   Jaffe, R L ^b   Halicioglu, T ^c   Koumoutsakos, P ^a  

^a ETH ZURICH   (Switzerland)

^b NASA AMES RESEARCH CENTER   (United States)

^c ELORET CORPORATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPUTER SIMULATION; CONTACT ANGLE; GRAPHITE; HYDROGEN BONDS; INTERFACES (MATERIALS); MOLECULAR DYNAMICS; MOLECULES; WATER; WETTING;

CARBON-OXYGEN LENNARD-JONES POTENTIAL; WATER DROPLET; WATER-CARBON INTERACTION POTENTIAL;

CARBON NANOTUBES;

EID: 0037434746     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0268112     Document Type: Article

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