Publications de Fernando Gargiulo

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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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

Fernando Gargiulo

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Materials Cloud, a platform for open computational science

Electromechanical oscillations in bilayer graphene

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

Electronic Transport in Graphene with Aggregated Hydrogen Adatoms

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

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

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

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