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231224s2012 xx |||||o 00| ||eng c |
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|a 10.1021/la300826p
|2 doi
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|a eng
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| 100 |
1 |
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|a Feng, Haijun
|e verfasserin
|4 aut
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| 245 |
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|a Molecular thin films on solid surfaces
|b mechanisms of melting
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| 264 |
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|c 2012
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Completed 07.09.2012
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|a Date Revised 15.05.2012
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a We use molecular dynamics simulations to study the melting of pentane and hexane monolayers adsorbed on the basal plane of graphite. For both of these systems, the temperature-dependent structures and the melting temperatures agree well with experiment. A detailed analysis reveals that a mechanism involving the promotion of molecules to the second layer underlies melting in these systems. In the second-layer promotion mechanism, a small fraction of molecules transition into the second layer around the melting temperature, leaving vacant space in the first layer to facilitate disordering. The second-layer promotion mechanism arises because of the weaker molecule-surface interaction in our study than that in previous studies. The weaker molecule-surface interaction is consistent with experimental temperature-programmed desorption studies
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|a Journal Article
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|a Becker, Kelly E
|e verfasserin
|4 aut
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| 700 |
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|a Zhou, Jian
|e verfasserin
|4 aut
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| 700 |
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|a Fichthorn, Kristen A
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 28(2012), 19 vom: 15. Mai, Seite 7382-92
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnns
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| 773 |
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|g volume:28
|g year:2012
|g number:19
|g day:15
|g month:05
|g pages:7382-92
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