Microscopic wetting of self-assembled monolayers with different surfaces: A combined molecular dynamics and quantum mechanics study

Langmuir

Volumn 27, Issue 14, 2011, Pages 8611-8620

  Xu, Zhen ^a   Song, Ke ^a   Yuan, Shi Ling ^a   Liu, Cheng Bu ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANETHIOLATES; ALKYL CHAIN; FLAT SURFACES; H-BONDS; HEAD GROUPS; HYDROPHOBIC SURFACES; MICROMECHANISMS; MOLECULAR DYNAMICS SIMULATIONS; POLAR HEAD; PRESENCE OF WATER; SAMS; SILICON (111) SUBSTRATES; SUPERHYDROPHILIC SURFACE; SURFACE HYDROPHILICITY; TERMINAL GROUPS; WATER MOLECULE; WETTED SURFACE;

BIOMIMETIC MATERIALS; BIOMIMETICS; DYNAMICS; HYDRATION; HYDROGEN BONDS; HYDROPHILICITY; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULES; QUANTUM THEORY; SURFACE CHEMISTRY; SURFACES; WETTING;

SELF ASSEMBLED MONOLAYERS;

ALKANE; WATER;

ARTICLE; CHEMICAL PHENOMENA; CHEMISTRY; CONFORMATION; MOLECULAR DYNAMICS; QUANTUM THEORY; SURFACE PROPERTY;

ALKANES; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; SURFACE PROPERTIES; WATER;

EID: 79960255479     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la201328y     Document Type: Article

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