The Journal of Chemical Physics · 1999 · 286 citations · 30 references
Natural SciencesMaterials SciencePhysicsNanomaterialsNanotechnologySolid State PhysicsAb Initio MethodsCluster ChemistryElectronic Structure Of SolidsInorganic MaterialsNanostructured MaterialsNanotubesAb Initio CalculationsAb Initio SimulationsBoron ChemistryBoron ClustersSize-dependent Electronic PropertiesStructural Stability
Based on a series of ab initio studies we have pointed out the remarkable structural stability of nanotubular and quasiplanar boron clusters, and postulated the existence of novel layered, tubular, and quasicrystalline boron solids built from elemental subunits. The present study illustrates and predicts qualitative structural and electronic properties for various models of nanotubular and layered boron solids, and compares them to well-known tubular and layered forms of pure carbon and mixed boron compounds.
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