Search results for "Fluorographene"

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Spiral graphone and one sided fluorographene nano-ribbons

2013

The instability of a free-standing one sided hydrogenated/fluorinated graphene nano-ribbon, i.e. graphone/fluorographene, is studied using ab-initio, semiempirical and large scale molecular dynamics simulations. Free standing semi-infinite arm-chair like hydrogenated/fluorinated graphene (AC-GO/AC-GF) and boat like hydrogenated/fluorinated graphene (B-GO/B-GF) (nano-ribbons which are periodic along the zig-zag direction) are unstable and spontaneously transform into spiral structures. We find that rolled, spiral B-GO and B-GF are energetically more favorable than spiral AC-GO and AC-GF which is opposite to the double sided flat hydrogenated/fluorinated graphene, i.e. graphane/fluorographene…

Materials scienceCondensed Matter - Mesoscale and Nanoscale PhysicsGrapheneBand gapPhysicsAb initioFOS: Physical sciencesNanotechnologyCondensed Matter PhysicsMolecular physicsElectronic Optical and Magnetic Materialslaw.inventionchemistry.chemical_compoundchemistryZigzaglawMesoscale and Nanoscale Physics (cond-mat.mes-hall)GraphaneMolecular orbitalFluorographeneHOMO/LUMO

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