Hydrogen storage capacities of alkali and alkaline-earth metal atoms on SiC monolayer: a first-principles study

LG Arellano, F de Santiago, Á Miranda… - International Journal of …, 2021 - Elsevier
A detailed theoretical Density-Functional-Theory-based investigation of hydrogen
adsorption on silicon carbide monolayers (SiC-ML) decorated with alkali and alkaline-earth …

Exploring the electronic and mechanical properties of lithium-decorated silicon carbide nanowires for energy storage

M Gonzalez, F Salazar, A Trejo, Á Miranda… - Journal of Energy …, 2023 - Elsevier
The high chemical stability of silicon carbide (SiC) is attractive to inhibit unwanted side
chemical reaction and prolongate the cyclability performance of lithium ion batteries anodes …

Investigation of the formation of defects under fast neutrons and gamma irradiation in 3C–SiC nano powder

MN Mirzayev, BA Abdurakhimov, E Demir… - Physica B: Condensed …, 2021 - Elsevier
In this work cubic phase, silicon carbide nano-powders were irradiated at the high-flux
pulsed reactor IBR–2 (Dubna, Russia). The 3C–SiC powder was irradiated with neutron …

Theoretical approach to the phonon modes of GaSb nanowires

JL Cuevas, M Ojeda, M Calvino, A Trejo… - Physica E: Low …, 2022 - Elsevier
Abstract Gallium Antimonide nanowires (GaSbNWs) have attracted much attention due to
their possible applications in mid infrared detectors, however, there are only few theoretical …

DFT insight into the structural, vibrational, and electronic properties of thin [110] Ge nanowires as anodic material for Li batteries

R Jiménez-Sánchez, P Morales-Vergara… - Materials Today …, 2024 - Elsevier
Germanium nanowires could be used to improve as anodic materials since their charge rate
is better than that of the current graphite electrodes. In this work, we present a Density …

A theoretical study of surface lithium effects on the [111] SiC nanowires as anode materials

X Tang, W Yan, T Gao, J Wang, Y Liu, X Qin - Journal of Molecular …, 2024 - Springer
Abstract Context Silicon carbide nanowires (SiCNWs) are considered a promising
alternative material for application in lithium-ion batteries, with researchers striving to …

Surface morphology effects on the mechanical and electronic properties of halogenated porous 3C-SiC: A DFT study

R Bermeo-Campos, K Madrigal-Carrillo… - Applied Surface …, 2023 - Elsevier
Silicon carbide nanostructures have been widely studied due to their potential technological
applications. However, the theoretical characterization, especially the effect of the surface on …

Raman characterization of phonon confinement and strain effects from latent ion tracks in α‐quartz

MC Garcia Toro, ML Crespillo… - Journal of Raman …, 2021 - Wiley Online Library
This study reports phonon confinement and strain effects in the Raman spectrum of ion‐
irradiated and subsequently etched α‐quartz. Y‐and Z‐cut α‐quartz single crystals were …

Effects of Surface in the IR and Raman Spectrum of Porous Silicon Carbide

R Bermeo, L Arellano, A Trejo, F Salazar… - IOP Conference …, 2020 - iopscience.iop.org
Porous Silicon carbide has been identified as an attractive material for its use as electrode in
supercapacitors, however the theoretical investigations about its properties, specially its …

[PDF][PDF] Silicon carbide monolayer with alkali and alkaline earth metal adatoms for H2 storage: a computational study

F de Santiagoa, L Arellanob, Á Mirandac… - … 2019: proceedings of …, 2019 - researchgate.net
Given their great surface-to-volume ratio, bidimensional monolayers are ideal for hydrogen
storage in fuel cell systems. It has been demonstrated that the silicon carbide (SiC) …