most citedFirst-principles derived force field for h-BN monolayer nanostructures: Applications to sheets, nanotubes and nanotori

2 citations · 2 across the 1 of their papers we have counts for

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cond-mat.mes-hall2024★ 2 cited

First-principles derived force field for h-BN monolayer nanostructures: Applications to sheets, nanotubes and nanotori

Aristotelis P. Sgouros, Markos Arapchatzis, Nektarios N. Lathiotakis +2

In this work, we present an empirical force field for hexagonal boron nitride (hBN) monolayers, derived via a bottom-up strategy from first principles calculations. We aim to deliv…