Molecular dynamics simulations of nanoscale engravings on an alkanethiol monolayer
نویسندگان
چکیده
منابع مشابه
Large-scale molecular dynamics simulations of alkanethiol self-assembled monolayers.
Large-scale molecular dynamics simulations of self-assembled alkanethiol monolayer systems have been carried out using an all-atom model involving a million atoms to investigate their structural properties as a function of temperature, lattice spacing, and molecular chain length. Our simulations show that the alkanethiol chains of 13-carbons tilt from the surface normal by a collective angle of...
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ژورنال
عنوان ژورنال: RSC Advances
سال: 2017
ISSN: 2046-2069
DOI: 10.1039/c7ra06005j