84 citations · 103 across the 2 of their papers we have counts for
5 papers
First Principles Investigation of Hydrogen Physical Adsorption on Graphynes' layers
Massimiliano Bartolomei, Estela Carmona-Novillo, Giacomo Giorgi
Graphynes are 2D porous structures deriving from graphene featuring triangular and regularly distributed subnanometer pores, which may be exploited to host small gaseous species. F…
Graphdiyne based membranes: exceptional performances for helium separation applications
Massimiliano Bartolomei, Estela Carmona-Novillo, Marta I. Hernández +3
Graphdiyne is a novel two-dimensional material deriving from graphene that has been recently synthesized and featuring uniformly distributed sub-nanometer pores. We report accurate…
Global potential energy surface for the O2 + N2 interaction. Applications to the collisional, spectroscopic, and thermodynamic properties of the complex
Massimiliano Bartolomei, Estela Carmona-Novillo, Marta I. Hernádez +2
A detailed characterization of the interaction between the most abundant molecules in air is important for the understanding of a variety of phenomena in atmospherical science. A c…
The penetration barrier of water through graphynes' pores: first-principles predictions and force field optimization
Massimiliano Bartolomei, Estela Carmona-Novillo, Marta I. Hernández +4
Graphynes are novel two-dimensional carbon-based materials that -due to their nanoweb-like structure- have been proposed as molecular filters, especially for water purification tec…
The Molecular Oxygen Tetramer: Intermolecular Interactions and Implications for the Solid Phase
Massimiliano Bartolomei, Estela Carmona-Novillo, Marta I. Hernández +3
Recent data have determined that the structure of the high pressure phase of solid oxygen consists of clusters composed of four O molecules. This finding has opened the que…