Effects of structural distortion on the optoelectronic properties and reactivity of fullerenes: a DFT study

JP Cachaneski-Lopes, A Batagin-Neto - Journal of Nanostructure in …, 2022 - Springer
Fullerene is a compound made up solely of carbon atoms structured in the form of cages
with high symmetry. These compounds present a variety of applications, mainly due to their …

Reduction of Interlayer Interaction in Multilayer Stacking Graphene with Carbon Nanotube Insertion: Insights from Experiment and Simulation

M Ding, T Inoue, JI Enriquez… - The Journal of …, 2023 - ACS Publications
The creation of multilayer graphene (Gr), while preserving the brilliant properties of
monolayer Gr derived from its unique band structure, can expand the application field of Gr …

Wrinkle development in graphene sheets with patterned nano-protrusions: A molecular dynamics study

J Varillas, O Frank - Carbon, 2021 - Elsevier
We perform large-scale molecular dynamics simulations to investigate wrinkling phenomena
in uncompressed and pre-compressed graphene sheets with protrusions introduced by a …

Atomic level insight into wetting and structure of Ag droplet on graphene coated copper substrate—molecular dynamics versus experiment

A Drewienkiewicz, A Żydek, ME Trybula, J Pstruś - Nanomaterials, 2021 - mdpi.com
Understanding the atomic-level phenomena occurring upon the wetting of graphene-coated
Cu with liquid Ag is pivotal for the description of the wetting phenomenon and the role of …

Study on the microstructure of the symbiosis of coal-based graphene and coal-based graphene quantum dots: Preparation and characterization

R Li, Y Tang, Q Che, X Huan, P Ma, P Luo… - Nanotechnology, 2022 - iopscience.iop.org
Coal-based graphene sheets (GS) and coal-based graphene quantum dots (GQDs) are
usually prepared separately. In this paper, symbiosis of coal-based GS and coal-based …

A theoretical study of wrinkle propagation in graphene with flower-like grain boundaries

Z Zhao, Y Wang, C Wang - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
This study investigated dynamic surface wrinkle propagation across a series of flower-like
rotational grain boundaries (GBs) in graphene using theoretical solutions and atomistic …

Electrohydrodynamic printing of supercapacitors

A Karlsson - 2024 - diva-portal.org
The thesis is focused on developing the printing methods as well as the material and
electrochemical characterization. The microstructures of the printed materials are viewed …

Simulación con dinámica molecular de las propiedades vibracionales de cintas de grafeno

LR Meléndez Bottia - 2021 - repositorio.uniandes.edu.co
Resumen en español La dinámica molecular es un modelo que se ha vuelto esencial en la
actualidad para el estudio de las propiedades físico-químicas de diferentes materiales …

C60 Fullerene Molecules under Single-Layer Graphene on a Metal Substrate

SS Rekhviashvili, MM Bukhurova - Semiconductors, 2021 - Springer
A hybrid nanomaterial, a single layer of C60 molecules sandwiched between single-layer
graphene and a metal substrate, is considered. Formulas for the specific energy of …

Молекулы фуллерена C под однослойным графеном на металлической подложке

СШ Рехвиашвили, ММ Бухурова - Физика и техника полупроводников, 2021 - mathnet.ru
Рассматривается гибридный наноматериал–монослой молекул C $ _ {60} $, который
находится между однослойным графеном и металлической подложкой. С …