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- W2186644774 abstract "The transport properties, work functions, electronic structure, and structural stability of boron nanotubes with different lattice structures, radii, and chiralities are investigated theoretically.Astheatomicstructureofboronnanotubesandtherelatedsheetsisstillunderdebate, threeprobablestructuralclasses(nanotubesderivedfromtheR-sheet,thebuckledtriangularsheet, and the distorted hexagonal sheet) are considered. For comparison with recent transport measurements (J. Mater. Chem. 2010, 20, 2197), the intrinsic conductance of ideal nanotubes with large diameters (D ≈ 10 nm) is determined. All considered boron nanotubes are highly conductive, irrespectiveoftheirlatticestructuresandchiralities,andtheyhavehigherconductivitiesthancarbon nanotubes. Furthermore, the work functions of the three sheets and the corresponding large- diameter nanotubes are determined. It is found that the value of the nanotubes obtained from the R-sheet agrees well with the experiment. This indirectly shows that the atomic structure of boron nanotubes is related to the R-sheet. The structural stability of nanotubes with diameters > 2 nm approaches that of the corresponding boron sheets, and R-sheet nanotubes are the most stable ones. However, for smaller diameters the relative stabilities change significantly, and for diameters < 0.5 nm the most stable structures are zigzag nanotubes of the buckled triangular sheet. For structuresrelatedtothedistortedhexagonalsheetthemoststablenanotubeisdiscoveredtohavea diameter of 0.39 nm." @default.
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- W2186644774 date "2011-01-01" @default.
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- W2186644774 title "Highly Conductive Boron Nanotubes: Transport Properties, Work Functions, and Structural Stabilities ViktorBezugly, †,*JensKunstmann, † BernhardGrundkotter-Stock, ‡ ThomasFrauenheim, ‡ ThomasNiehaus, §" @default.
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