Publications by Fernando Gargiulo

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance

Nicola Marzari, Giovanni Pizzi, Nicolas Frank Mounet, Martin Uhrin, Andrea Cepellotti, Boris Kozinsky, Fernando Gargiulo, Christoph Leopold Talirz, Leonid Kahle, Aliaksandr Yakutovich

The ever-growing availability of computing power and the sustained development of advanced computational methods have contributed much to recent scientific progress. These developments present new challenges driven by the sheer amount of calculations and d ...

2020

Materials Cloud, a platform for open computational science

Berend Smit, Nicola Marzari, Giovanni Pizzi, Martin Uhrin, Fernando Gargiulo, Aliaksandr Yakutovich, Christoph Leopold Talirz, Sebastiaan Philippe Huber, Snehal Pramod Kumbhar, Casper Welzel Andersen

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) archival and dissemination services for raw and curated data, together with their ...

2020

Structural and electronic transformation in low-angle twisted bilayer graphene

Fernando Gargiulo

2018

Disorder engineering and conductivity dome in ReS2 with electrolyte gating

Andras Kis, Oleg Yazyev, Dumitru Dumcenco, Dmitry Ovchinnikov, Fernando Gargiulo, Adrien Victor Allain, Diego José Pasquier

Atomically thin rhenium disulphide (ReS2) is a member of the transition metal dichalcogenide family of materials. This two-dimensional semiconductor is characterized by weak interlayer coupling and a distorted 1T structure, which leads to anisotropy in ele ...

Nature Publishing Group2016

Electromechanical oscillations in bilayer graphene

Andras Kis, Oleg Yazyev, Fernando Gargiulo, Gabriel Albert Autes, Sajedeh Manzeli, Mahmut Tosun, Mohamed Malik Benameur

Nanoelectromechanical systems constitute a class of devices lying at the interface between fundamental research and technological applications. Realizing nanoelectromechanical devices based on novel materials such as graphene allows studying their mechanic ...

Nature Research2015

The role of disorder in the electronic and transport properties of monolayer and bilayer graphene

Fernando Gargiulo

This thesis is devoted to the computational study of the electronic and transport properties of monolayer and bilayer graphene in the presence of disorder arising from both topological and point defects. Among the former, we study grain boundaries in monol ...

EPFL2015

Controlled growth of a line defect in graphene and implications for gate-tunable valley filtering

Oleg Yazyev, Gabriel Albert Autes, Jie Chen, Fernando Gargiulo

Atomically precise tailoring of graphene can enable unusual transport pathways and new nanometer-scale functional devices. Here we describe a recipe for the controlled production of highly regular "5-5-8" line defects in graphene by means of simultaneous e ...

Amer Physical Soc2014

Grain Boundaries in Graphene on SiC(000(1)over-bar) Substrate

Oleg Yazyev, Fernando Gargiulo

Grain boundaries in epitaxial graphene on the SiC(000 (1) over bar) substrate are studied using scanning tunneling microscopy and spectroscopy. All investigated small-angle grain boundaries show pronounced out-of-plane buckling induced by the strain fields ...

Amer Chemical Soc2014

Electronic Transport in Graphene with Aggregated Hydrogen Adatoms

Oleg Yazyev, Gabriel Albert Autes, Fernando Gargiulo, Naunidh Singh Virk

Hydrogen adatoms and other species covalently bound to graphene act as resonant scattering centers affecting the electronic transport properties and inducing Anderson localization. We show that attractive interactions between adatoms on graphene and their ...

American Physical Society2014

Topological Aspects of Charge-Carrier Transmission across Grain Boundaries in Graphene

Oleg Yazyev, Fernando Gargiulo

Dislocations and grain boundaries are intrinsic topological defects of large-scale polycrystalline samples of graphene. These structural irregularities have been shown to strongly affect electronic transport in this material. Here, we report a systematic i ...

Amer Chemical Soc2014