102 citations · 471 across the 14 of their papers we have counts for
14 papers
Time-resolved solvation dynamics of Li, Na and K ions in liquid helium nanodroplets
Jeppe K. Christensen, Simon H. Albrechtsen, Christian E. Petersen +7
In 2023, ultrafast pump-probe spectrocopy was used to record the solvation dynamics of a single Na ion in a liquid helium droplet, atom-by-atom and with femtosecond time resolu…
Femtosecond-and-atom-resolved solvation dynamics of a Na ion in a helium nanodroplet
Simon H. Albrechtsen, Jeppe K. Christensen, Christian E. Petersen +7
Recently, it was shown how the primary steps of solvation of a single Na ion, instantly created at the surface of a nanometer-sized droplet of liquid helium, can be followed at…
Reconciling Experimental and Theoretical Vibrational Deactivation in Low-Energy O+N Collisions
Qizhen Hong, Massimiliano Bartolomei, Fabrizio Esposito +3
Molecular dynamics calculations of inelastic collisions of atomic oxygen with molecular nitrogen are known to show orders of magnitude discrepancies with experimental results in th…
Helium Isotopes Quantum Sieving Through Graphtriyne Membranes
Marta I. Hernández, Massimiliano Bartolomei, José Campos-Martínez
We report accurate quantum calculations of the sieving of Helium atoms by two-dimensional (2D) graphtriyne layers with a new interaction potential. Thermal rate constants and perme…
Lithium ions solvated in helium
Monisha Rastogi, Christian Leidlmair, Lukas An der Lan +10
We report on a combined experimental and theoretical study of Li ions solvated by up to 50 He atoms. The experiments show clear enhanced abundances associated with HeLi…
Graphene Multi-Protonation: a Cooperative Mechanism for Proton Permeation
Massimiliano Bartolomei, Marta I. Hernández, José Campos-Martınez +1
The interaction between protons and graphene is attracting a large interest due to recent experiments showing that these charged species permeate through the 2D material following…
A Novel Nanoporous Graphite Based on Graphynes: First Principles Structure and Carbon Dioxide Preferential Physisorption
Massimiliano Bartolomei, Giacomo Giorgi
Ubiquitous graphene is a stricly 2D material representing an ideal adsorbing platform due to its large specific surface area as well as its mechanical strength and resistance to bo…
Examination of the Feynman-Hibbs Approach in the Study of Ne-Coronene Clusters at Low Temperatures
R. Rodríguez-Cantano, R. Pérez de Tudela, M. Bartolomei +6
Feynman-Hibbs (FH) effective potentials constitute an appealing approach for investigations of many-body systems at thermal equilibrium since they allow us to easily include quantu…
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…
Effect of the anisotropy on the glory structure of molecule-molecule scattering cross sections
Jesús Pérez-Ríos, Massimiliano Bartolomei, José Campos-Martínez +1
Total (elastic + rotationally inelastic) integral cross sections are computed for O-O using a recent ab initio potential energy surface. The sampled veloc…
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…