Document Detail

Desorption of n-alkanes from graphene: a van der Waals density functional study.
MedLine Citation:
PMID:  23032797     Owner:  NLM     Status:  In-Data-Review    
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.
Elisa Londero; Emma K Karlson; Marcus Landahl; Dimitri Ostrovskii; Jonatan D Rydberg; Elsebeth Schröder
Related Documents :
23781797 - The surprising metastability of teh(2+).
23005967 - Peierls distortion and quantum solitons.
23837687 - Theory of divalent main group h2 activation: electronics and quasiclassical trajectories.
24212127 - Hiking on the potential energy surface of a functional tyrosinase model - implications ...
22004277 - Atom probe trajectory mapping using experimental tip shape measurements.
15836237 - Vibronic fine structure in the absorption spectrum of oligothiophene thin films.
Publication Detail:
Type:  Journal Article     Date:  2012-10-03
Journal Detail:
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:
Created Date:  2012-10-04     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101165248     Medline TA:  J Phys Condens Matter     Country:  England    
Other Details:
Languages:  eng     Pagination:  424212     Citation Subset:  IM    
Microtechnology and Nanoscience, MC2, Chalmers University of Technology, SE-412 96 Göteborg, Sweden.
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine

Previous Document:  Evaluation of a point-of-care test based on deamidated gliadin peptides for celiac disease screening...
Next Document:  Iguratimod: a new disease-modifying antirheumatic drug.