Atomistic simulations of graphite etching at realistic time scales
نویسندگان
چکیده
منابع مشابه
Atomistic simulations of graphite etching at realistic time scales† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc02763j Click here for additional data file.
Hydrogen-graphite interactions are relevant to a wide variety of applications, ranging from astrophysics to fusion devices and nano-electronics. In order to shed light on these interactions, atomistic simulation using Molecular Dynamics (MD) has been shown to be an invaluable tool. It suffers, however, from severe time-scale limitations. In this work we apply the recently developed Collective V...
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ژورنال
عنوان ژورنال: Chemical Science
سال: 2017
ISSN: 2041-6520,2041-6539
DOI: 10.1039/c7sc02763j