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Issue 48, 2013
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Theoretical prediction of a new two-dimensional carbon allotrope and NDR behaviour of its one-dimensional derivatives

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Abstract

By using state of the art theoretical methods we have predicted a new two-dimensional (2-D) carbon allotrope. This new planar carbon framework is made of hexagons, octagons and pentagons and hence named as HOP graphene (HOPG). The possibility of existence of HOPG is evident from its dynamical stability as confirmed by phonon-mode analysis and also from an energetic point of view since it is energetically more favorable than recently synthesized graphdiyne. The band structure shows the metallic behaviour of this new form of carbon allotrope. We also explored the electronic structure and transport properties of a 1-D derivative (nanoribbon) of HOPG. Most of the nanoribbons exhibit multiple negative differential resistance (NDR) behaviour with high peak to valley ratio.

Graphical abstract: Theoretical prediction of a new two-dimensional carbon allotrope and NDR behaviour of its one-dimensional derivatives

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Publication details

The article was received on 09 Aug 2013, accepted on 14 Oct 2013 and first published on 14 Oct 2013


Article type: Paper
DOI: 10.1039/C3CP53390E
Phys. Chem. Chem. Phys., 2013,15, 21001-21006

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    Theoretical prediction of a new two-dimensional carbon allotrope and NDR behaviour of its one-dimensional derivatives

    B. Mandal, S. Sarkar, A. Pramanik and P. Sarkar, Phys. Chem. Chem. Phys., 2013, 15, 21001
    DOI: 10.1039/C3CP53390E

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