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Published in 2021 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2021.110568
Abstract: Abstract The pull and release molecular dynamics simulations of graphene nanoribbons (GNR) lead to their length dependent several folded conformations in the ground states at finite temperatures. The folding occurs when the potential energy of…
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Keywords:
tensor;
graphene nanoribbons;
energy;
pull release ... See more keywords