Structural and properties of graphene nanobelts rolled up into spiral by a single graphene sheet

Graphene nanobelts (GNBs) as a new class of quasi two dimensional materials that have attracted much research interest in the last few years. Nanobelts are known to show excellent field emission characteristics. On the other hand the scrolled configurations such as graphene nanobelts configuration indicate more stable (in terms of energy) than their equivalent planar configurations such as nanoribbon, nanotube. In this article, modelling of nanobelts (proposed schematic of nanobelts perfect scroll-like Archimedean spirals) energy band structure and bandgap dependency on chiral vector (C) over right arrow and length of nanobelts (L) (structural parameter) is reported. The third nearest-neighbour binding analysis is used to derive energy ban structure model of GNBs. Our results show that the effect of structural parameters and chirality number have great influence on bandgap. In addition the critical values of L and chiral number as important factors in order to illustrate electronic structures and properties of GNBs are investigated.

[1]  Richard B. Kaner,et al.  A Chemical Route to Carbon Nanoscrolls , 2003, Science.

[2]  Xu Xie,et al.  Controlled fabrication of high-quality carbon nanoscrolls from monolayer graphene. , 2009, Nano letters.

[3]  P. Kim,et al.  Energy band-gap engineering of graphene nanoribbons. , 2007, Physical review letters.

[4]  Y. Qian,et al.  Synthesis of Carbon Nanotubes and Nanobelts through a Medial-Reduction Method , 2003 .

[5]  P. Wallace.  The Band Theory of Graphite , 1947 .

[6]  Zhong Lin Wang.  Properties of Nanobelts and Nanotubes Measured by In Situ TEM , 2004, Microscopy and Microanalysis.

[7]  A. Cao,et al.  Nanobelt‐Templated Growth of Carbon Nanotube Rows , 2004 .

[8]  Alan M. Cassell,et al.  Chemical vapor deposition of methane for single-walled carbon nanotubes , 1998 .

[9]  Mark S. Lundstrom,et al.  Nanoscale Transistors: Device Physics, Modeling and Simulation , 2005 .

[10]  Eric Perim,et al.  The structure and dynamics of boron nitride nanoscrolls , 2009, Nanotechnology.

[11]  V. Shanov,et al.  Physical properties of carbon nanotube sheets drawn from nanotube arrays , 2012 .

[12]  Kwang S. Kim,et al.  Large-scale pattern growth of graphene films for stretchable transparent electrodes , 2009, Nature.

[13]  Musen Li,et al.  Carbon nanobelts synthesized via chemical metathesis route , 2007 .

[14]  M. S. de Vries,et al.  Cobalt-catalysed growth of carbon nanotubes with single-atomic-layer walls , 1993, Nature.

[15]  S. Datta.  Quantum Transport: Atom to Transistor , 2004 .

[16]  S. Tsukamoto,et al.  First-Principles Calculation Methods for Obtaining Scattering Waves to Investigate Transport Properties of Nanostructures , 2012 .

[17]  D. Galvão,et al.  Curved graphene nanoribbons: structure and dynamics of carbon nanobelts , 2010, Nanotechnology.

[18]  Y. Qian,et al.  Controlled synthesis of carbon nanocables and branched-nanobelts , 2006 .

[19]  Riichiro Saito,et al.  Trigonal warping effect of carbon nanotubes , 2000 .

[20]  S. Louie,et al.  Energy gaps in graphene nanoribbons. , 2006, Physical Review Letters.

[21]  Ray H. Baughman,et al.  Structure and dynamics of carbon nanoscrolls , 2004 .

[22]  Jing Lu,et al.  Structural and Electronic Study of Nanoscrolls Rolled up by a Single Graphene Sheet , 2007 .