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 …
Inhibition of quantum size effects from surface dangling bonds: The first principles study on different morphology SiC nanowires
YJ Li, SL Li, P Gong, YL Li, XY Fang, YH Jia… - Physica B: Condensed …, 2018 - Elsevier
In recent years, we investigated the structure and photoelectric properties of Silicon carbide
nanowires (SiCNWs) with different morphologies and sizes by using the first-principle in …
nanowires (SiCNWs) with different morphologies and sizes by using the first-principle in …
Discrete impurity band from surface danging bonds in nitrogen and phosphorus doped SiC nanowires
YJ Li, SL Li, P Gong, YL Li, MS Cao, XY Fang - Physica E: Low-dimensional …, 2018 - Elsevier
The electronic structure and optical properties of the nitrogen and phosphorus doped silicon
carbide nanowires (SiCNWs) are investigated using first-principle calculations based on …
carbide nanowires (SiCNWs) are investigated using first-principle calculations based on …
Lithiation effects on the structural and electronic properties of Si nanowires as a potential anode material
The need for better energy-storage materials has attracted much attention to the
development of Li-ion battery electrodes. Si nanowires have been considered as alternative …
development of Li-ion battery electrodes. Si nanowires have been considered as alternative …
Band-Gap Engineering: Lithium Effect on the Electronic Properties of Hydrogenated 3C-SiC (1 1 0) Surfaces
JL Cuevas, MO Martinez, SP Thirumuruganandham - Batteries, 2022 - mdpi.com
Silicon carbide has structural strength, high electronic conductivity, low diffusion barrier and
high storage capacity, which are suitable for engineering applications such as lithium-ion …
high storage capacity, which are suitable for engineering applications such as lithium-ion …
Fluorinated porous silicon as sensor material for environmentally toxic gases: a first-principles study
By using Density Functional Theory, the effect of adsorbed gas molecules on the electronic
properties of fluorine passivated porous silicon (pSi) is investigated. A silicon nanopore is …
properties of fluorine passivated porous silicon (pSi) is investigated. A silicon nanopore is …
First principles band gap engineering of [1 1 0] oriented 3C-SiC nanowires
Silicon carbide nanowires offer excellent opportunities for technological applications under
harsh environmental conditions, however, the 3C-SiC polytype nanowires, grown along the …
harsh environmental conditions, however, the 3C-SiC polytype nanowires, grown along the …
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 …
Investigation of photoelectrical properties of α-Si 3 N 4 nanobelts with surface modifications using first-principles calculations
L Xiong, J Dai, Y Song, G Wen, C Qin - Physical Chemistry Chemical …, 2016 - pubs.rsc.org
The structural stability, electronic and optical properties of α-Si3N4 nanobelts orientating
along the different directions with surface H, F and Cl modifications are investigated using …
along the different directions with surface H, F and Cl modifications are investigated using …
Electronic properties of fluorinated silicon carbide nanowires
The control and modulation of the electronic properties of silicon carbide nanowires
(SiCNWs) are crucial for the obtention of materials with specific electronic features for the …
(SiCNWs) are crucial for the obtention of materials with specific electronic features for the …