ReaxFF reactive molecular dynamics simulations to study the interfacial dynamics between defective h-BN nanosheet and water nanodroplets

Phys. Chem. Chem. Phys., 2021, Accepted Manuscript DOI: 10.1039/D1CP00546D, PaperAkarsh Verma, Weiwei Zhang, Adri C. T. van Duin In this work, the authors have developed a reactive force field (ReaxFF) to investigate the effect of water molecules on the interfacial interactions with vacancy defected hexagonal boron nitride (h-BN)... The content of this RSS Feed (c) The Royal Society of Chemistry
Source: RSC - Phys. Chem. Chem. Phys. latest articles - Category: Chemistry Authors: Source Type: research