The effect of Stone-Wales defects on the mechanical behavior of graphene nano-ribbons

Y Fu, T Ragab, C Basaran - Computational Materials Science, 2016 - Elsevier
Molecular dynamics simulations were performed on graphene nano-ribbons (GNR) with
Stone-Wales defects to study their influence on the mechanical response of GNR under …

[HTML][HTML] Effect of hydroxylated carbon nanotubes on the thermal and electrical properties of derived epoxy composite materials

J Chen, J Han - Results in Physics, 2020 - Elsevier
Carbon nanotubes are efficient thermal conductors and exhibit unique electrical properties.
What is not entirely clear, however, is how to effectively transfer the carbon nanotube's …

Impact of geometry on transport properties of armchair graphene nanoribbon heterojunction

W Zhang, C Basaran, T Ragab - Carbon, 2017 - Elsevier
Electron transport properties of undoped armchair Graphene Nanoribbon Heterojunction
(GNRHJ) has been studied using semi-empirical extended Hückel method (EH). A two …

Phonon and thermoelectric properties of single-and double-walled carbon nanotubes from first principles

HA Badehian, K Gharbavi - Molecular Simulation, 2018 - Taylor & Francis
The phonon and thermal properties of different single-((n, 0)(n= 7, 8, 9, 10, 14, 15)) and
double-walled carbon nanotubes ((7, 0)@(14, 0),(8, 0)@(14, 0),(9, 0)@(15, 0) and (10 …

First-principles investigation on thermal properties and infrared spectra of imperfect graphene

J Wang, H Xie, Z Guo - Applied Thermal Engineering, 2017 - Elsevier
In this study we used first-principles density functional theory to investigate the thermal and
optical properties of graphene. Graphene phonon properties were first calculated by the …

Strained phonon–phonon scattering in carbon nanotubes

Y Chu, P Gautreau, T Ragab, C Basaran - Computational Materials Science, 2016 - Elsevier
Focusing on three-phonon processes, the effect of uniaxial tensile strain on the phonon–
phonon scattering rates is studied for (10, 10) single-walled carbon nanotube at room …

Validation of a Physics Based Three Phonon Scattering Algorithm Implemented in the Statistical Phonon Transport Model

MP Medlar, EC Hensel - ASME …, 2020 - asmedigitalcollection.asme.org
Three phonon scattering is the primary mechanism by which phonon transport is impeded in
insulating and semiconducting bulk materials. Accurate computational modeling of this …

[图书][B] An Enhanced Statistical Phonon Transport Model for Nanoscale Thermal Transport and Design

MP Medlar - 2021 - search.proquest.com
Managing thermal energy generation and transfer within the nanoscale devices (transistors)
of modern microelectronics is important as it limits speed, carrier mobility, and affects …

Electronic properties of armchair graphene nanoribbons under uniaxial strain and electric field

LF Jiang, L Xu, J Zhang - International Journal of Modern Physics B, 2018 - World Scientific
The armchair graphene nanoribbons (AGNRs) can be either semiconducting or metallic,
depending on their widths. We investigate the electronic properties of AGNRs under uniaxial …

Phonon-phonon interactions and phonon damping for the curvature modes in carbon nanotubes

G Li, Z Ren - Europhysics Letters, 2016 - iopscience.iop.org
We focus on the damping of the lowest-lying gapped modes with integer angular-momentum
quantum number $| l|= 2$ in carbon nanotubes (CNTs). These modes, called C modes …