Metal-like Electrical Conductance in Boron Fullerenes
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چکیده
منابع مشابه
Metal-like Electrical Conductance in Boron Fullerenes
Electron transport properties of B-fullerenes, B80 and B100, are investigated with the use of the first-principles density functional theory (DFT), in conjunction with the Landauer-Büttiker formalism and compared with C-fullerene, C60, under similar conditions. The differential conductance and the tunnel current for B-fullerenes sandwiched between Au contacts are calculated to be much higher th...
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Stephan Mohr,1 Pascal Pochet,2,* Maximilian Amsler,1 Bastian Schaefer,1 Ali Sadeghi,1 Luigi Genovese,2 and Stefan Goedecker1,† 1Institut für Physik, Universität Basel, Klingelbergstrasse 82, 4056 Basel, Switzerland 2Laboratoire de Simulation Atomistique (L_Sim), SP2M, UMR-E CEA/UJF-Grenoble 1, INAC, Grenoble F-38054, France (Received 14 May 2013; revised manuscript received 17 December 2013; pu...
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So far, no boron fullerenes were synthesized: more compact sp(3)-bonded clusters are energetically preferred. To circumvent this, metallic clusters have been suggested by Pochet et al. [Phys. Rev. B 83, 081403(R) (2011)] as "seeds" for a possible synthesis which would topologically protect the sp(2) sector of the configuration space. In this paper, we identify a basic pentagonal unit which allo...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2010
ISSN: 1932-7447,1932-7455
DOI: 10.1021/jp9095776