Ab Initio Molecular Dynamics and Lattice Dynamics Based Force Field for Modeling Hexagonal Boron Nitride in Mechanical and Interfacial Applications

TitleAb Initio Molecular Dynamics and Lattice Dynamics Based Force Field for Modeling Hexagonal Boron Nitride in Mechanical and Interfacial Applications
Publication TypeJournal Article
Year of Publication2018
AuthorsRajan, AGovind, Strano, MS, Blankschtein, D
JournalThe Journal of Physical Chemistry Letters
Volume9
Pagination1584−1591
URLhttp://doi.org/10.1021/acs.jpclett.7b03443
DOI10.1021/acs.jpclett.7b03443