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Published in 2019 at "Physical Review Materials"
DOI: 10.1103/physrevmaterials.3.114002
Abstract: This work describes the development of a third-generation charge optimized many-body (COMB3) potential for Al-C and its application to the investigation of aluminum/graphene nanostructures. In particular, the new COMB3 potential was used to investigate the…
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Keywords:
dynamics graphene;
surface;
graphene;
comb3 potentials ... See more keywords