Synergy of physical properties of low-dimensional carbon-based systems for nanoscale device design

NA Poklonski, SA Vyrko, AI Siahlo… - Materials Research …, 2019 - iopscience.iop.org
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 …

Carbon nanotubes as excitonic insulators

D Varsano, S Sorella, D Sangalli, M Barborini… - Nature …, 2017 - nature.com
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 …

Fundamental optical processes in armchair carbon nanotubes

EH Hároz, JG Duque, X Tu, M Zheng, ARH Walker… - Nanoscale, 2013 - pubs.rsc.org
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 …

Electronic and optical properties of ultra-small diameter armchair carbon and boron nitride nanotubes by PBE, TB-mBJ and YS-PBE0 functionals

R Takassa, O Farkad, EA Ibnouelghazi… - Diamond and Related …, 2022 - Elsevier
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) …

Structural and electronic properties of N-do** ultra-small diameter (3, 3) armchair SWCNT by using PBE and TB-mBJ potentials

R Takassa, O Farkad, EA Ibnouelghazi… - Applied Surface …, 2021 - Elsevier
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 …

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 …

The influence of substrate in determining the band gap of metallic carbon nanotubes

MR Amer, A Bushmaker, SB Cronin - Nano letters, 2012 - ACS Publications
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 …

Topological effects and particle physics analogies beyond the massless Dirac-Weyl fermion in graphene nanorings

I Romanovsky, C Yannouleas, U Landman - Physical Review B—Condensed …, 2013 - APS
Armchair and zigzag edge terminations in planar hexagonal and trigonal graphene
nanorings are shown to underlie one-dimensional topological states associated with …

Enhanced thermoelectric properties of SWCNT by new nitrogen chains do**

R Takassa, AE Mouncharih, F Elfatouaki… - Diamond and Related …, 2023 - Elsevier
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 …

Opening a band gap in graphene by C–C bond alternation: a tight binding approach

DQ Khoa, CV Nguyen, LM Bui, HV Phuc… - Materials Research …, 2019 - iopscience.iop.org
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 …