id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-336378-7f2fizfr	Valentini, Luca	Engineering Graphene Oxide/Water Interface from First Principles to Experiments for Electrostatic Protective Composites	2020-07-18		.txt	text/plain	4955	242	50	In this study, we performed first-principles calculations suggesting that water molecules once in contact with the graphene oxide (GO) layer interact with its functional groups, therefore, developing an electric field induced by the heterostructure formation. The combination of GO sharp edged structure and surface charge when dispersed into nonionic polymers was found to be efficient in antiviral activity [10] ; thus, aerosols consisting of water droplets with a dimension in the range from 100 nm to 1 µm that cannot be stopped mechanically by the pores of filter fibers could be removed, for example, by the electrostatic interaction with GO based polymer fibers, making the face masks more efficient [11] . More on the theoretical side, our setup follows those reported in the literature; density functional theory based methodologies are used to predict interfacial electric field within (mono)layers in van der Waals heterostructures to evaluate (among the others) the photocatalytic performance enhancement [16, 17] , and the storage of alkali atoms (batteries) [18] , while similar approaches are exploited to compute properties of metal/oxide interfaces in terms of workfunction variation and charge distribution between heterostructure components [19] .	./cache/cord-336378-7f2fizfr.txt	./txt/cord-336378-7f2fizfr.txt