Hydrogen storage capacities of alkali and alkaline-earth metal atoms on SiC monolayer: a first-principles study
A detailed theoretical Density-Functional-Theory-based investigation of hydrogen
adsorption on silicon carbide monolayers (SiC-ML) decorated with alkali and alkaline-earth …
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
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 …
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
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 …
pulsed reactor IBR–2 (Dubna, Russia). The 3C–SiC powder was irradiated with neutron …
Theoretical approach to the phonon modes of GaSb nanowires
Abstract Gallium Antimonide nanowires (GaSbNWs) have attracted much attention due to
their possible applications in mid infrared detectors, however, there are only few theoretical …
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 …
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 …
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 …
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 …
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
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 …
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
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) …
storage in fuel cell systems. It has been demonstrated that the silicon carbide (SiC) …