629 citations · 1.2k across the 20 of their papers we have counts for
21 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…
Heisenberg's uncertainty principle in the PTOLEMY project: a theory update
PTOLEMY Collaboration, A. Apponi, M. G. Betti +58
We discuss the consequences of the quantum uncertainty on the spectrum of the electron emitted by the -processes of a tritium atom bound to a graphene sheet. We analyze quantita…
Deterministic Covalent Organic Functionalization of Monolayer Graphene with 1,3-Dipolar Cycloaddition Via High Resolution Surface Engineering
Luca Basta, Federica Bianco, Aldo Moscardini +5
Spatially-resolved organic functionalization of monolayer graphene is successfully achieved by combining low-energy electron beam irradiation with 1,3-dipolar cycloaddition of azom…
Covalent Organic Functionalization of Graphene Nanosheets and Reduced Graphene Oxide via 1,3-Dipolar Cycloaddition of Azomethine Ylide
Luca Basta, Aldo Moscardini, Filippo Fabbri +7
Organic functionalization of graphene is successfully performed via 1,3-dipolar cycloaddition of azomethine ylide in the liquid phase. The comparison between 1-methyl-2-pyrrolidino…
Structural transition states explored with minimalist coarse grained models: applications to Calmodulin
Francesco Delfino, Yuri Porozov, Eugene Stepanov +2
Transitions between different conformational states are ubiquitous in proteins, being involved in signaling, catalysis and other fundamental activities in cells. However, modeling…
Superlubricity of epitaxial monolayer WS2 on graphene
Holger Buech, Antonio Rossi, Stiven Forti +3
We report on the superlubric sliding of monolayer tungsten disulfide (WS2) on epitaxial graphene (EG) on silicon carbide (SiC). WS2 single-crystalline flakes with lateral size of h…
Intrinsic structural and electronic properties of the Buffer Layer on Silicon Carbide unraveled by Density Functional Theory
Tommaso Cavallucci, Valentina Tozzini
The buffer carbon layer obtained in the first instance by evaporation of Si from the Si-rich surfaces of silicon carbide (SiC) is often studied only as the intermediate to the synt…
Multistable rippling of graphene on SiC: A Density Functional Theory study
Tommaso Cavallucci, Valentina Tozzini
Graphene monolayer grown by Si evaporation from the 0001 surface of SiC displays a moiré pattern of corrugation whose structure is ambiguous: different measurements and theoretical…
Revealing the nature of defects in quasi free standing mono-layer graphene on SiC(0001) by means of Density Functional Theory
Tommaso Cavallucci, Yuya Murata, Makoto Takamura +3
Quasi free standing monolayer graphene (QFMLG) grown on SiC by selective Si evaporation from the Si-rich SiC(0001) face and H intercalation displays irregularities in STM and AFM a…
Electronic properties of WS on epitaxial graphene on SiC(0001)
Stiven Forti, Antonio Rossi, Holger Büch +12
This work reports an electronic and micro-structural study of an appealing system for optoelectronics: tungsten disulphide WS on epitaxial graphene (EG) on SiC(0001). The WS$_2…
Collective mode mining from molecular dynamics simulations: a comparative approach
Vito Dario Camiola, Valentina Tozzini
The evaluation of collective modes is fundamental in the analysis of molecular dynamics simulations. Several methods are available to extract that information, i.e normal mode anal…
Atomic and Electronic Structure of Si Dangling Bonds in Quasi-Free-Standing Monolayer Graphene
Yuya Murata, Tommaso Cavallucci, Valentina Tozzini +7
Si dangling bonds without H termination at the interface of quasi-free standing monolayer graphene (QFMLG) are known scattering centers that can severely affect carrier mobility. I…
Morphing graphene-based systems for applications: perspectives from simulations
Tommaso Cavallucci, Khatuna Kakhiani, Riccardo Farchioni +1
Graphene, the one-atom-thick sp2 hybridized carbon crystal, displays unique electronic, structural and mechanical properties, which promise a large number of interesting applicatio…
Revealing the multi-bonding state between hydrogen and graphene-supported Ti clusters
Keisuke Takahashi, Shigehito Isobe, Kengo Omori +6
Hydrogen adsorption on graphene-supported metal clusters has brought much controversy due to the complex nature of the bonding between hydrogen and metal clusters. The bond types o…
Hydrogen storage in rippled graphene: perspectives from multi-scale simulations
Vito Dario Camiola, Riccardo Farchioni, Tommaso Cavallucci +3
Exploring new perspectives for green technologies is one of the challenges of the third millennium, in which the need for non-polluting and renewable powering has become primary. I…
Hydrogen transport within graphene multilayers by means of flexural phonons
Vito Dario Camiola, Riccardo Farchioni, Vittorio Pellegrini +1
Graphene sustains transverse out-of-plane mechanical vibrations (flexural phonons). At the nanometer scale, these appear as travelling ripples, or cavities, if excited in counter-p…
Increasing the active surface of titanium islands on graphene by nitrogen sputtering
T. Mashoff, D. Convertino, V. Miseikis +5
Titanium-island formation on graphene as a function of defect density is investigated. When depositing titanium on pristine graphene, titanium atoms cluster and form islands with a…
The Influence of Graphene Curvature on Hydrogen Adsorption: Towards Hydrogen Storage Devices
Sarah Goler, Camilla Coletti, Valentina Tozzini +5
The ability of atomic hydrogen to chemisorb on graphene makes the latter a promising material for hydrogen storage. Based on scanning tunneling microscopy techniques, we report on…
Prospects for hydrogen storage in graphene
Valentina Tozzini, Vittorio Pellegrini
Hydrogen-based fuel cells are promising solutions for the efficient and clean delivery of electricity. Since hydrogen is an energy carrier, a key step for the development of a reli…
Reversible hydrogen storage by controlled buckling of graphene layers
Valentina Tozzini, Vittorio Pellegrini
We propose a multi-layer graphene-based device in which storage and release of atomic hydrogen is obtained by exploiting and controlling the corrugation of the layers. The proposal…
Electronic structure and Peierls instability in graphene nanoribbons sculpted in graphane
Valentina Tozzini, Vittorio Pellegrini
Graphene nanoribbons are semiconductor nanostructures with great potentials in nanoelectronics. Their realization particularly with small lateral dimensions below a few nanometers,…