399 citations · 1.2k across the 11 of their papers we have counts for
11 papers
Electronic transport across realistic grain boundaries in graphene
Fernando Gargiulo
We perform a MonteCarlo simulation in order to study the connection between the morphology and the transport properties of grain boundaries (GBs) in graphene. We explore the config…
Materials Cloud, a platform for open computational science
Leopold Talirz, Snehal Kumbhar, Elsa Passaro +17
Materials Cloud is a platform designed to enable open and seamless sharing of resources for computational science, driven by applications in materials modelling. It hosts 1) archiv…
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
Sebastiaan. P. Huber, Spyros Zoupanos, Martin Uhrin +19
The ever-growing availability of computing power and the sustained development of advanced computational methods have contributed much to recent scientific progress. These developm…
Structural and electronic transformation in low-angle twisted bilayer graphene
Fernando Gargiulo, Oleg V. Yazyev
Experiments on bilayer graphene unveiled a fascinating realization of stacking disorder where triangular domains with well-defined Bernal stacking are delimited by a hexagonal netw…
Disorder engineering and conductivity dome in ReS2 with electrolyte gating
Dmitry Ovchinnikov, Fernando Gargiulo, Adrien Allain +5
Atomically thin rhenium disulphide (ReS2) is a member of the transition metal dichalcogenide (TMDC) family of materials characterized by weak interlayer coupling and a distorted 1T…
Electromechanical Oscillations in Bilayer Graphene
Muhammed Malik Benameur, Fernando Gargiulo, Sajedeh Manzeli +4
Nanoelectromechanical systems (NEMS) constitute a class of devices lying at the interface between fundamental research and technological applications. Integrating novel materials s…
Grain Boundaries in Graphene on SiC(000) Substrate
Yann Tison, Jérôme Lagoute, Vincent Repain +7
Grain boundaries in epitaxial graphene on the SiC(000) substrate are studied using scanning tunneling microscopy and spectroscopy. All investigated small-angle grain bound…
Electronic Transport in Graphene with Aggregated Hydrogen Adatoms
Fernando Gargiulo, Gabriel Autès, Naunidh Virk +5
Hydrogen adatoms and other species covalently bound to graphene act as resonant scattering centers affecting the electronic transport properties and inducing Anderson localization.…
Effects of different electron-phonon couplings on spectral and transport properties of small molecule single-crystal organic semiconductors
C. A. Perroni, F. Gargiulo, A. Nocera +2
Spectral and transport properties of small molecule single-crystal organic semiconductors have been theoretically analyzed focusing on oligoacenes, in particular on the series from…
Topological Aspects of Charge-Carrier Transmission across Grain Boundaries in Graphene
Fernando Gargiulo, Oleg V. Yazyev
We systematically investigate the transmission of charge carriers across the grain-boundary defects in polycrystalline graphene by means of the Landauer-Büttiker formalism within t…
Electronic transport within a quasi two-dimensional model for rubrene single-crystal field effect transistors
F. Gargiulo, C. A. Perroni, V. Marigliano Ramaglia +1
Spectral and transport properties of the quasi two-dimensional adiabatic Su-Schrieffer-Heeger model are studied adjusting the parameters in order to model rubrene single-crystal fi…