Strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers
The interactions between electrons and phonons play the key role in determining the carrier
transport properties in semiconductors. In this work, comprehensive investigations on full …
transport properties in semiconductors. In this work, comprehensive investigations on full …
The effect of Stone-Wales defects on the mechanical behavior of graphene nano-ribbons
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 …
Stone-Wales defects to study their influence on the mechanical response of GNR under …
Impact of geometry on transport properties of armchair graphene nanoribbon heterojunction
Electron transport properties of undoped armchair Graphene Nanoribbon Heterojunction
(GNRHJ) has been studied using semi-empirical extended Hückel method (EH). A two …
(GNRHJ) has been studied using semi-empirical extended Hückel method (EH). A two …
Comparison of fracture behavior of defective armchair and zigzag graphene nanoribbons
Molecular dynamics simulations of armchair graphene nanoribbons and zigzag graphene
nanoribbons with different sizes were performed at room temperature. Double vacancy …
nanoribbons with different sizes were performed at room temperature. Double vacancy …
Influence of vacancy defects on the damage mechanics of graphene nanoribbons
Using molecular dynamics simulations, graphene nanoribbons with armchair chirality were
subjected to displacement-controlled uniaxial tension until complete fracture at 300 K in …
subjected to displacement-controlled uniaxial tension until complete fracture at 300 K in …
Mechanical and electronic properties of graphene nanomesh heterojunctions
It is well known that introducing periodic holes into graphene can be used to obtain
semiconducting graphene nanomeshes (GNM). Using Molecular Dynamics (MD) …
semiconducting graphene nanomeshes (GNM). Using Molecular Dynamics (MD) …
The computational study of initial temperature/pressure and atomic doping effects on the growth of crack in graphene nanostructure: Molecular dynamics approach
Y Zhou, E Abdali, A Shamshiri, M Al-Bahrani… - Materials Science and …, 2023 - Elsevier
Graphene is a two-dimensional material with excellent mechanical, electrical, and thermal
properties made up of single layers of carbon atoms. Despite the fact that graphene is an …
properties made up of single layers of carbon atoms. Despite the fact that graphene is an …
Temperature dependence of Joule heating in zigzag graphene nanoribbon
Using full-band electron and phonon dispersion relations, we investigate the temperature
dependence of Joule heating in Zigzag Graphene Nanoribbons under high electrical field …
dependence of Joule heating in Zigzag Graphene Nanoribbons under high electrical field …
The effects of vacancy defect on the fracture behaviors of zigzag graphene nanoribbons
Zigzag graphene nanoribbons with and without single vacancy defect are strained under
uniaxial tension using molecular dynamics simulations. In order to understand the influence …
uniaxial tension using molecular dynamics simulations. In order to understand the influence …
Unraveling mechanics of armchair and zigzag graphene nanoribbons
The unraveling process of armchair and zigzag graphene nanoribbons (GNRs) was studied
with molecular dynamics simulations using the Adaptive Intermolecular Reactive Empirical …
with molecular dynamics simulations using the Adaptive Intermolecular Reactive Empirical …