99 citations · 226 across the 5 of their papers we have counts for
6 papers
Graphene-based technologies for energy applications, challenges and perspectives
Etienne Quesnel, Frédéric Roux, Fabrice Emieux +26
Here we report on technology developments implemented into the Graphene Flagship European project for the integration of graphene and graphene-related materials (GRMs) into energy…
Ge type-II clathrate as precursor for the synthesis of metastable germanium polymorphs: a computational study
Daniele Selli, Igor A. Baburin, Roman Martoňák +1
The response to compression of the clathrate type-II structure Ge(cF136) is investigated by means of \textit{ab initio} small-cell metadynamics at different temperatures and pressu…
On the group-theoretical approach to the study of interpenetrating nets
Igor A. Baburin
A general theoretical framework based on group-subgroup and group-supergroup relations is proposed to describe and to derive interpenetrating nets.
On the Origin of Crystallinity: a Lower Bound for the Regularity Radius of Delone Sets
Igor A. Baburin, Mikhail Bouniaev, Nikolay Dolbilin +4
The local theory of regular or multi-regular systems aims at finding sufficient local conditions for a Delone set to be a regular or multi-regular system. One of the main goals…
Novel metastable metallic and semiconducting germaniums
Daniele Selli, Igor A. Baburin, Roman Martonak +1
By means of ab initio metadynamics runs we explored the lower-pressure region of the phase diagram of germanium. A monoclinic germanium phase with four-membered rings, less dense t…
Superhard sp3 carbon allotropes with odd and even ring topologies
Daniele Selli, Igor A. Baburin, Roman Martoňák +1
Four sp3 carbon allotropes with six, eight, and 16 atoms per primitive cell have been derived using a combination of metadynamics simulations and topological scan. A chiral orthorh…