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Synergy of physical properties of low-dimensional carbon-based systems for nanoscale device design
We review the principles of formation, physical properties, and current or envisaged
applications for a wide range of carbon allotropic forms. We discuss experimental and …
applications for a wide range of carbon allotropic forms. We discuss experimental and …
Carbon nanotubes as excitonic insulators
Abstract Fifty years ago Walter Kohn speculated that a zero-gap semiconductor might be
unstable against the spontaneous generation of excitons–electron–hole pairs bound …
unstable against the spontaneous generation of excitons–electron–hole pairs bound …
Fundamental optical processes in armchair carbon nanotubes
Single-wall carbon nanotubes provide ideal model one-dimensional (1-D) condensed
matter systems in which to address fundamental questions in many-body physics, while, at …
matter systems in which to address fundamental questions in many-body physics, while, at …
Electronic and optical properties of ultra-small diameter armchair carbon and boron nitride nanotubes by PBE, TB-mBJ and YS-PBE0 functionals
We have investigated the electronic and optical properties of ultra-small (3, 3),(4, 4) and (5,
5) armchair single walled nanotubes carbon (C-SWNTs) and boron nitride (BN-SWNTs) …
5) armchair single walled nanotubes carbon (C-SWNTs) and boron nitride (BN-SWNTs) …
Structural and electronic properties of N-do** ultra-small diameter (3, 3) armchair SWCNT by using PBE and TB-mBJ potentials
The structural and electronic properties of (3, 3) ultra-small SWCNT doped with nitrogen at
different sites namely N (3, 3) _ 1, N (3, 3) _ 2 and N (3, 3) _ 3 are investigated by DFT …
different sites namely N (3, 3) _ 1, N (3, 3) _ 2 and N (3, 3) _ 3 are investigated by DFT …
Low band gap polymers design approach based on a mix of aromatic and quinoid structures
N Bérubé, J Gaudreau, M Côté - Macromolecules, 2013 - ACS Publications
This article establishes a link between the structural form of a polymer and its light
absorption properties using density functional theory. According to a relationship …
absorption properties using density functional theory. According to a relationship …
The influence of substrate in determining the band gap of metallic carbon nanotubes
We report a detailed comparison of ultraclean suspended and on-substrate carbon
nanotubes (CNTs) in order to quantify the effect of the substrate interaction on the effective …
nanotubes (CNTs) in order to quantify the effect of the substrate interaction on the effective …
Topological effects and particle physics analogies beyond the massless Dirac-Weyl fermion in graphene nanorings
Armchair and zigzag edge terminations in planar hexagonal and trigonal graphene
nanorings are shown to underlie one-dimensional topological states associated with …
nanorings are shown to underlie one-dimensional topological states associated with …
Enhanced thermoelectric properties of SWCNT by new nitrogen chains do**
Single walled carbon nanotubes (SWCNT) are attractive materials for thermoelectric (TE)
devices because of their unique one-dimensional structure and provide us for develo** a …
devices because of their unique one-dimensional structure and provide us for develo** a …
Opening a band gap in graphene by C–C bond alternation: a tight binding approach
In the present work, we consider the electronic properties of graphene with Kekule structure
formed from two different C–C bonds in its hexagonal lattice. When the C–C bond …
formed from two different C–C bonds in its hexagonal lattice. When the C–C bond …