Issue 48, 2013
From the journal:

Physical Chemistry Chemical Physics

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

Bikash Mandal,a   Sunandan Sarkar,a   Anup Pramanika  and  Pranab Sarkar*a  

* Corresponding authors

a Department of Chemistry, Visva-Bharati University, Santiniketan-731235, India
E-mail: pranab.sarkar@visva-bharati.ac.in

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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Article information

DOI
https://doi.org/10.1039/C3CP53390E
Article type
Paper
Submitted
09 Aug 2013
Accepted
14 Oct 2013
First published
14 Oct 2013

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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