2020 journal article
Interfacial Properties of Water on Hydrogenated and Fluorinated Graphene Surfaces: Parametrization of Nonbonded Interactions
Journal of Physical Chemistry C, 124(39), 21467–21475.
Contributors: A. Taqieddin *, M. Heiranian* & N. Aluru *
The properties of water interfacing with functionalized 2D materials play a crucial role in the design and development of high-performance nanofluidic devices. Developing nonbonding force field par...