ReaxFF reactive molecular dynamics simulations to study the interfacial dynamics between defective h-BN nanosheets and water nanodroplets
Keyword(s):
In this work, the authors have developed a reactive force field (ReaxFF) and performed molecular dynamics simulations to investigate the effect of water molecules on the interfacial interactions with vacancy defective hexagonal boron nitride (h-BN) nanosheets.
2019 ◽
Vol 151
(9)
◽
pp. 094503
◽
2020 ◽
Vol 167
(10)
◽
pp. 100555
2019 ◽
Vol 103
(3)
◽
pp. 1600-1614
◽
2015 ◽
Vol 119
(24)
◽
pp. 13735-13742
◽
2017 ◽
Vol 13
(8)
◽
pp. 3854-3861
◽
2013 ◽
Vol 18
(3)
◽
pp. 211
◽