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Tersoff-style three-body potential for the B-N-C system developed by Kinaci et al. (2012) v000
https://doi.org/10.25950/2ea5b5fa
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This is a Tersoff type interaction potential parametrized to reproduce the ab initio energetics of the B-C and N-C bonds for studying the various interfaces that emerge in hybrid nanostructures of graphene and h-BN.
KIM ID:
MO_105008013807_000
Extended KIM ID:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
Alper Kinaci
Justin Haskins
Cem Sevik
Tahir Cagin
Ilia Nikiforov
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OpenKIM
Registration Agency
National Science Foundation
0844082
Türkiye Bilimsel ve Teknolojik Araştirma Kurumu
DOI registered
June 5, 2022
via DataCite
Software published 2022 in
Open Knowledgebase of Interatomic Models (OpenKIM)
Software