Berlin 2012 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 49: Nanomaterials II

MM 49.3: Vortrag

Donnerstag, 29. März 2012, 12:15–12:30, H 1029

Boron Nanotubes: Structural Stability and Electronic Properties — •Viktor Bezugly, Jens Kunstmann, and Gianaurelio Cuniberti — Institute for Materials Science and Max Bergman Center of Biomaterials, TU Dresden, 01062 Dresden, Germany

The transport properties, work functions, electronic structure, and structural stability of boron nanotubes with different radii and chiralities are investigated theoretically [1]. As the atomic structure of boron nanotubes and the related sheets is still under debate, three probable structural models are considered. For comparison with recent transport measurements [2], the intrinsic conductance of ideal nanotubes with large diameters is determined. All considered boron nanotubes are highly conductive, irrespective of their lattice structures and chiralities, and they have higher conductivities than carbon 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 one model sheet agrees well with the experiment in contrast to the other two models. The energetic stability of nanotubes with diameters >2 nm approaches that of the corresponding boron sheets. However, for smaller diameters the relative stabilities change significantly.

[1] V. Bezugly, J. Kunstmann, B. Grundkoetter-Stock, T. Frauenheim, T. Niehaus, G. Cuniberti, ACS Nano 5, 4997 (2011).

[2] F. Liu, C. Shen, Z. Su, X. Ding, S. Deng, J. Chen, N. Xu, H. Gao, J. Mater. Chem. 20, 2197 (2010).