Can endohedral transition metals enhance hydrogen storage in carbon nanotubes?

U Khalilov, U Uljayev, K Mehmonov… - International Journal of …, 2024 - Elsevier
The safe and efficient use of hydrogen energy, which is in high demand worldwide today,
requires efficient hydrogen storage. Despite significant advances in hydrogen storage using …

Carbon nanowires made by the insertion-and-fusion method toward carbon–hydrogen nanoelectronics

F Liu, Q Wang, Y Tang, W Du, W Chang, Z Fu, X Zhao… - Nanoscale, 2023 - pubs.rsc.org
Carbon nanowires (CNWs), long linear carbon chains encapsulated inside carbon
nanotubes, exhibit sp hybridization characteristics as one of one-dimensional nanocarbon …

Mechanisms of selective nanocarbon synthesis inside carbon nanotubes

U Khalilov, EC Neyts - Carbon, 2021 - Elsevier
The possibility of confinement effects inside a carbon nanotube provides new application
opportunities, eg, growth of novel carbon nanostructures. However, the understanding the …

Structural and electronic properties of nonconventional -graphyne nanocarbons

TA Oliveira, PV Silva, A Saraiva-Souza… - Physical Review …, 2022 - APS
In this work, we propose a set of nonconventional graphyne lattices inspired by previously
studied sp 2 nanocarbon sheets, known as haeckelites, and we study their electronic …

The role of carbon monoxide in the catalytic synthesis of endohedral carbyne

K Mehmonov, A Ergasheva, M Yusupov… - Journal of Applied …, 2023 - pubs.aip.org
The unique physical properties of carbyne, a novel carbon nanostructure, have attracted
considerable interest in modern nanotechnology. While carbyne synthesis has been …

[HTML][HTML] Fullerene, fullerane and the fulleryne: A comparative thermodynamic study for a new member of the carbon cage family

M Qasemnazhand, F Khoeini, F Marsusi - Results in Physics, 2022 - Elsevier
In a previous work, we introduced a new family of carbon cages, called fullerynes. Besides,
we studied their stability by examining the vibrations of the infrared spectrum. But in this …

Pressure-induced structural transformations on linear carbon chains encapsulated in carbon nanotubes: A potential route for obtaining longer chains and ultra-hard …

WQ Neves, RS Ferreira, YA Kim, M Endo, GB Choi… - Carbon, 2022 - Elsevier
In this paper, we report high-pressure Raman experiments (0− 28 GPa) in two different
systems, ie, linear carbon chains encapsulated by multi-walled (C n@ MWCNTs) and …

Effect of chemical modification on electronic transport properties of carbyne

GR Berdiyorov, U Khalilov, H Hamoudi… - Journal of Computational …, 2021 - Springer
Using density functional theory in combination with the Green's functional formalism, we
study the effect of surface functionalization on the electronic transport properties of 1D …

Electronic transport in 1D system with coupling atomic-size nickel electrodes and carbon wires

DFS Ferreira, M Moura-Moreira, SM Corrêa… - Materials Science and …, 2020 - Elsevier
We have investigated the electronic transport using ab initio/Non-Equilibrium Green's
Function methodology through one-dimensional (1D) junctions with atomic-size diameter …

Effect of endohedral nickel atoms on the hydrophilicity of carbon nanotubes

S Matnazarova, U Khalilov, M Yusupov - Molecular Simulation, 2023 - Taylor & Francis
Carbon nanotubes (CNTs) have been successfully used in biomedicine, including cancer
therapy, due to their unique physico-chemical properties. Because pristine CNTs exhibit …