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 …

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 …

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 …

Lithiation effects on the structural and electronic properties of Si nanowires as a potential anode material

F De Santiago, JE González, A Miranda, A Trejo… - Energy Storage …, 2019 - Elsevier
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 …

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 …

Fluorinated porous silicon as sensor material for environmentally toxic gases: a first-principles study

JE Santana, F de Santiago, Á Miranda, LA Pérez… - Materials …, 2021 - pubs.rsc.org
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 …

First principles band gap engineering of [1 1 0] oriented 3C-SiC nanowires

JL Cuevas, F De Santiago, J Ramírez, A Trejo… - Computational Materials …, 2018 - Elsevier
Silicon carbide nanowires offer excellent opportunities for technological applications under
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 …

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 …

Electronic properties of fluorinated silicon carbide nanowires

A Miranda, LA Pérez - Computational Materials Science, 2016 - Elsevier
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 …