Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride

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Authors: Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov, Andrey A. Knizhnik

Journal title: Computational Materials Science

Journal number: 128

Journal publisher: Elsevier BV

Published year: 2017

Published pages: 45-58

DOI identifier: 10.1016/j.commatsci.2016.11.011

ISSN: 0927-0256