| Desorption of n-alkanes from graphene: a van der Waals density functional study. | |
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MedLine Citation:
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PMID: 23032797 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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A recent study of temperature-programmed desorption (TPD) measurements of small linear alkane molecules (n-alkanes, with formula C(N)H(2N+2)) from C(0001) deposited on Pt(111) shows a linear relationship of the desorption energy with increasing n-alkane chain length N. We here present a van der Waals density functional study of the desorption barrier energy of the ten smallest n-alkanes (of carbon chain length N = 1-10) from graphene. We find linear scaling with N, including a non-zero intercept with the energy axis, i.e. an offset at the extrapolation to N = 0. This calculated offset is quantitatively similar to the results of the TPD measurements. From further calculations of the polyethylene polymer we offer a suggestion for the origin of the offset. |
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Authors:
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Elisa Londero; Emma K Karlson; Marcus Landahl; Dimitri Ostrovskii; Jonatan D Rydberg; Elsebeth Schröder |
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Publication Detail:
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Type: Journal Article Date: 2012-10-03 |
Journal Detail:
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Title: Journal of physics. Condensed matter : an Institute of Physics journal Volume: 24 ISSN: 1361-648X ISO Abbreviation: J Phys Condens Matter Publication Date: 2012 Oct |
Date Detail:
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Created Date: 2012-10-04 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 101165248 Medline TA: J Phys Condens Matter Country: England |
Other Details:
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Languages: eng Pagination: 424212 Citation Subset: IM |
Affiliation:
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Microtechnology and Nanoscience, MC2, Chalmers University of Technology, SE-412 96 Göteborg, Sweden. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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