82 citations · 187 across the 7 of their papers we have counts for
7 papers
Li-decorated BC3 nanopores: Promising materials for hydrogen storage
I. Cabria, A. Lebon, M. B. Torres +2
In the quest of new absorbent for hydrogen storage, we investigate the capacities of slit pores formed by two BC3 sheets decorated with Li atoms. Their hydrogen storage capacities…
Two-dimensional pattern formation in ionic liquids confined between graphene walls
Hadrián Montes-Campos, José Manuel Otero-Mato, Trinidad Méndez-Morales +4
We perform molecular dynamics simulations of ionic liquids confined between graphene walls under a large variety of conditions (pure ionic liquids, mixtures with water and alcohols…
Structural Complexity and Phonon Physics in 2D Arsenenes
Jesús Carrete, Luis J. Gallego, Natalio Mingo
In the quest for stable 2D arsenic phases, four different structures have been recently claimed to be stable. We show that, due to phonon contributions, the relative stability of t…
How will freestanding borophene nanoribbons look like? An analysis of their possible structures, magnetism and transport properties
A García-Fuente, J Carrete, A Vega +1
We report a density-functional-theoretic study of the stability and electronic structure of two recently proposed borophene sheets with Pmmn symmetry and nonzero thickness. We then…
Surface roughness and thermal conductivity of semiconductor nanowires: going below the Casimir limit
Jesús Carrete, Luis Javier Gallego, Luis Miguel Varela +1
By explicitly considering surface roughness at the atomic level, we quantitatively show that the thermal conductivity of Si nanowires can be lower than Casimir's classical limit. H…
Microcanonical equations for the Tsallis entropy
J. Carrete, L. M. Varela, L. J. Gallego
Microcanonical equations for several thermodynamic properties of a system, suitable for molecular dynamics simulations, are derived from the nonextensive Tsallis entropy functional…
Density fluctuations and single-particle dynamics in liquid lithium
J. Casas, D. J. Gonzalez, L. E. Gonzalez +2
The single-particle and collective dynamical properties of liquid lithium have been evaluated at several thermodynamic states near the triple point. This is performed within the fr…