14 citations · 15 across the 7 of their papers we have counts for
7 papers
Modeling phase separation in polymer-derived silicon carbonitride ceramics through extended machine learning molecular dynamics
Fabien Mortier, Sylvian Cadars, Olivier Masson +5
Polymer-derived ceramics combine the thermal stability of ceramics with the versatile properties of carbon domains, but modeling their atomic-scale evolution during processing rema…
Structural, hydrogen bonding and dipolar properties of alkyl imidazolium-based ionic liquids: a classical and first-principles molecular dynamics study
Irene Amiehe Essomba, Mauro Boero, Kerstin Falk +1
Ionic liquids (ILs) feature a tailorable and wide range of structural, chemical and electronic properties that make this class of materials suitable to a broad variety of forefront…
Atomic structure of amorphous SiN: combining Car-Parrinello and Born-Oppenheimer first-principles molecular dynamics
Achille Lambrecht, Carlo Massobrio, Mauro Boero +2
First-principles molecular dynamics is employed to describe the atomic structure of amorphous SiN, a non-stoichiometric compound belonging to the SiN family. To produce t…
Microscopic mechanisms of initial formation process of graphene on SiC(0001) surfaces
Fumihiro Imoto, Jun-Ichi Iwata, Mauro Boero +1
We report total-energy calculations based on the density-functional theory that clarify microscopic mechanisms of initial stage of graphene formation on the SiC(0001) surface. We e…
First-principles calculations that clarify energetics and reactions of oxygen adsorption and carbon desorption on 4H-SiC () surface
Han Li, Yu-ichiro Matsushita, Mauro Boero +1
We report static and dynamic first-principles calculations that provide atomistic pictures of the initial stage of the oxidation processes occurring at the () surface of…
The theory of magneto-transport in quantum dots: 3D-0D and 2D-0D tunnelling and selection rules for the angular momentum
B. Jouault, M. Boero, G. Faini +1
A study of magneto-transport through quantum dots is presented. The model allows to analyze tunnelling both from bulk-like contacts and from 2D accumulation layers. The fine featur…
Effect of the angular momentum on the magnitude of the current in magneto-tunnelling spectroscopy of quantum dots
B. Jouault, J. P. Holder, M. Boero +5
We present an experimental and theoretical study of electron tunnelling through quantum dots which focusses the attention on the amplitude of the current peaks as a function of mag…