25th anniversary article: chemically modified/doped carbon nanotubes & graphene for optimized nanostructures & nanodevices

UN Maiti, WJ Lee, JM Lee, Y Oh, JY Kim… - Advanced …, 2014 - Wiley Online Library
Outstanding pristine properties of carbon nanotubes and graphene have limited the scope
for real‐life applications without precise controllability of the material structures and …

Electrochemical Syntheses of Polycyclic Aromatic Hydrocarbons (PAHs)

Y Wang, R Zhao, L Ackermann - Advanced Materials, 2023 - Wiley Online Library
Polycyclic aromatic hydrocarbons (PAHs) have surfaced as increasingly viable components
in optoelectronics and material sciences. The development of highly efficient and atom …

Thermal conductivity and tensile response of defective graphene: A molecular dynamics study

B Mortazavi, S Ahzi - Carbon, 2013 - Elsevier
In this study, effects of point vacancy, Stone–Wales and bivacancy defects on thermal
conductivity and tensile response of single-layer graphene sheets are studied using …

On the large capacitance of nitrogen doped graphene derived by a facile route

MP Kumar, T Kesavan, G Kalita, P Ragupathy… - RSC …, 2014 - pubs.rsc.org
Recent research activities on graphene have identified do** of foreign atoms into the
honeycomb lattice as a facile route to tailor its bandgap. Moreover, the presence of foreign …

Stress-relieving defects enable ultra-stable silicon anode for Li-ion storage

Y Zhou, Y Yang, G Hou, D Yi, B Zhou, S Chen… - Nano Energy, 2020 - Elsevier
Graphite-like coated silicon (Si@ G) material has been shown to be only partly useful in
addressing the technological problems of high-capacity Si anodes in lithium ion batteries …

Mechanical properties of hybrid graphene and hexagonal boron nitride sheets as revealed by molecular dynamic simulations

S Zhao, J Xue - Journal of Physics D: Applied Physics, 2013 - iopscience.iop.org
Molecular dynamic simulations are performed to investigate the mechanical properties of
hybrid graphene and hexagonal boron nitrogen (h-BN) sheet with the concentration of BN …

Tersoff potential with improved accuracy for simulating graphene in molecular dynamics environment

G Rajasekaran, R Kumar… - Materials Research …, 2016 - iopscience.iop.org
Graphene is an elementary unit for various carbon based nanostructures. The recent
technological developments have made it possible to manufacture hybrid and sandwich …

Hydrothermal preparation of nitrogen-doped graphene sheets via hexamethylenetetramine for application as supercapacitor electrodes

JW Lee, JM Ko, JD Kim - Electrochimica Acta, 2012 - Elsevier
Nitrogen-doped graphene sheets (NGS) were obtained using a simple hydrothermal
reaction with graphene oxide and hexamethylenetetramine (HMT). HMT plays important …

Combined molecular dynamics-finite element multiscale modeling of thermal conduction in graphene epoxy nanocomposites

B Mortazavi, O Benzerara, H Meyer, J Bardon, S Ahzi - Carbon, 2013 - Elsevier
We developed a multiscale scheme using molecular dynamics (MD) and finite element (FE)
methods for evaluating the effective thermal conductivity of graphene epoxy …

Effect of strain rate, temperature, vacancy, and microcracks on mechanical properties of 8-16-4 graphyne

Q Peng, Z Huang, G Chen, Y Zhang, X Zhang, XJ Chen… - Nanomaterials, 2024 - mdpi.com
The 8-16-4 graphyne, a recently identified two-dimensional carbon allotrope, exhibits
distinctive mechanical and electrical properties, making it a candidate material for flexible …