Hydrogen motions in defective graphene: the role of surface defects

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Understanding the mobility of H at the surface of carbon nanostructures is one of the essential ingredients for a deep comprehension of the catalytic formation of H2 in interstellar clouds. We combined neutron vibrational spectroscopy with DFT molecular dynamics simulations to … Continue reading

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Possible light-induced superconductivity in K3C60

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The non-equilibrium control of emergent phenomena in solids is an important research frontier, encompassing effects such as the optical enhancement of superconductivity. Nonlinear excitation of certain phonons in bilayer copper oxides was recently shown to induce superconducting-like optical properties at temperatures … Continue reading

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Tailoring ionic-electronic transport in PEO-Li4C60: Towards a new class of all solid-state mixed conductors

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Mixed ionic-electronic conductors (MIEC) are of growing interest for fuel cells, batteries and sensors. By exploiting the unique properties of Li4C60 2D fulleride and poly(ethylene oxide) (PEO), we demonstrated the feasibility of a MIEC where the nature of transport can … Continue reading

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Magnetism of aniline modified graphene-based materials

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The possibility of producing magnetic graphene nanostructures by functionalization with aromatic radicals has been investigated. Functionalization of graphene basal plane was performed with three types of anilines: 4-bromoaniline, 4-nitroaniline and 4-chloroaniline. The samples were examined by composition analysis with energy-dispersive … Continue reading

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Ammonia Storage in lithium fullerides

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  Ammonia has been proposed as an indirect hydrogen carrier, as solid-state ammonia-storage could be easier than directly absorbing hydrogen in materials. Here we investigate the structural evolution of hyper-ammoniated lithium fullerides (ND3)yLi6C60 during ammonia desorption, using in-situ high intensity … Continue reading

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Structural investigation of N,N’-methylenebisacrylamide via X-ray diffraction assisted by crystal structure prediction

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The crystal structure of N,N’-methylenebisacrylamide was determined through the geometry optimization of the molecular unit with density functional theory and conformational analysis, and then through the calculation of the packing via a crystal structure prediction protocol, based on lattice energy … Continue reading

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Graphene and Selected Derivatives as Negative Electrodes in Sodium- and Lithium-Ion Batteries

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The performance of graphene, and a few selected derivatives, was investigated as a negative electrode material in sodium and lithium-ion batteries. Hydrogenated graphene shows significant improvement in battery performance compared with as-prepared graphene, with reversible capacities of 488 mAh/g for … Continue reading

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Li12C60: A lithium clusters intercalated fulleride

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We reported the structural analysis of the highly-doped lithium fulleride Li12C60, performed using low temperature neutron powder diffraction. Although the main reflections could be initially indexed with a fcc cell, Monte Carlo Simulated Annealing suggests an unusual monoclinic arrangement for … Continue reading

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Tracking the Hydrogen Motion in Defective Graphene

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Bulk defective graphene produced by thermal exfoliation of graphite oxide was treated under H2 and investigated with X-ray photoemission spectroscopy, neutron spectroscopy, and solid state nuclear magnetic resonance. Graphene defects appear effective in dissociating H2 molecule and in promoting H … Continue reading

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Decoration of graphene with nickel nanoparticles: study of the interaction with hydrogen

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Graphene obtained from thermal exfoliation of graphite oxide was chemically functionalized with nickel nanoparticles (NPs) without exposing the system to oxidizing agents. Its structural, physical and chemical properties have been studied by means of TEM, X-ray photoelectron and Raman spectroscopies, … Continue reading

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