Solid-state phase transition of tetracosane C24H50

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Structural and phase properties of tetracosane (C24H50) monolayers adsorbed on graphite: an explicit hydrogen molecular dynamics study.

We discuss molecular dynamics (MD) computer simulations of a tetracosane (C24H50) monolayer physisorbed onto the basal plane of graphite. The adlayer molecules are simulated with explicit hydrogens, and the graphite substrate is represented as an all-atom structure having six graphene layers. The tetracosane dynamics modeled in the fully atomistic manner agree well with experiment. The low-temp...

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ژورنال

عنوان ژورنال: Journal of Physics: Conference Series

سال: 2020

ISSN: 1742-6588,1742-6596

DOI: 10.1088/1742-6596/1695/1/012180