Geometry of Molecular Motions in Dye Monolayers at Various Coverages
نویسندگان
چکیده
منابع مشابه
Explicit hydrogen molecular dynamics simulations of hexane deposited onto graphite at various coverages.
We present results of molecular dynamics (MD) computer simulations of hexane (C6H14) adlayers physisorbed onto a graphite substrate for coverages in the range 0.5 < or = rho < or = 1 monolayers. The hexane molecules are simulated with explicit hydrogens, and the graphite substrate is modeled as an all-atom structure having six graphene layers. At coverages above about rho congruent with 0.9 the...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2017
ISSN: 1932-7447,1932-7455
DOI: 10.1021/acs.jpcc.7b02416