Physical Review Letters · 2009 · 628 citations · 21 references
Natural SciencesMaterials SciencePhysicsMaterials ChemistryNanomaterialsNanotechnologyAb Initio MethodsCarbon NanomaterialsDensity Functional TheoryGraphene NanomaterialsMolecular DynamicsNanoelectronicsCarbon-based NanomaterialsElectron Beam Irradiation EffectsGrapheneGraphene MaterialsGraphene NanostructuresGraphene-based Materials
Stable and rigid carbon atomic chains were experimentally realized by removing carbon atoms row by row from graphene through the controlled energetic electron irradiation inside a transmission electron microscope. The observed structural dynamics of carbon atomic chains such as formation, migration, and breakage were well explained by density-functional theory calculations. The method we reported here is promising to investigate all-carbon-based devices with the carbon atomic chains as the conducting channel, which can be regarded as the ultimate basic component of molecular devices.
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
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<i>Ab initio</i>molecular dynamics for liquid metals
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Helical microtubules of graphitic carbon
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