26 citations · 30 across the 13 of their papers we have counts for
15 papers · 1 filter
Hydration Peculiarities of Graphene Oxides with Multiple Oxidation Degrees
Antenor Neto, Vitaly V. Chaban, Eudes E. Fileti
Hydration properties of graphene oxide (GO) are essential for most of its potential applications. In this work, we employ atomistic molecular dynamics simulations to investigate se…
Imidazolium Ionic Liquid Mediates Black Phosphorus Exfoliation while Preventing Phosphorene Decomposition
Vitaly V. Chaban, Eudes Eterno Fileti, Oleg V. Prezhdo
Forthcoming applications in electronics and optoelectronics make phosphorene a subject of vigorous research efforts. Solvent-assisted exfoliation of phosphorene promises affordable…
Polypeptide A9K at Nanoscale Carbon: Simulation Study
Vitaly V. Chaban, Andre Arruda, Eudes Eterno Fileti
An amphiphilic nature of the surfactant-like peptides is responsible for their propensity to aggregate at the nanoscale. These peptides can be readily used for a non-covalent funct…
Ionization of Cucurbiturils as a Pathway to More Stable Host-Guest Complexes
Vitaly V. Chaban, Eudes Eterno Fileti, Thaciana Malaspina
Cucurbiturils are particularly interesting to chemists, because these macrocyclic molecules are suitable hosts for an array of neutral and cationic species. It is believed that the…
Can Inorganic Salts Tune Electronic Properties of Graphene?
Guilherme Colherinhas, Eudes Eterno Fileti, Vitaly V. Chaban
Electronic properties of graphene quantum dots (GQDs) constitute a subject of intense scientific interest. Being smaller than 20 nm, GQDs contain confined excitons in all dimension…
Strong Electronic Polarization of the C60 Fullerene by the Imidazolium-Based Ionic Liquids: Accurate Insights from Born-Oppenheimer Molecular Dynamics Simulations
Vitaly V. Chaban, Eudes Eterno Fileti
Fullerenes are known to be polarizable due to the strained carbon-carbon bonds and high surface curvature. Electronic polarization of fullerenes is of steady practical importance,…