First-principle study of shear deformation effect on Mg adsorption by monolayer SnS2
M Ma, G Liu, W Ran, D Su, Z Yang, G Zhang - Journal of Molecular …, 2023 - Springer
Context In this study, the effects of different shear deformations on the structural stability,
electronic structure, and optical properties of a Mg atom adsorption system of S vacancy …
electronic structure, and optical properties of a Mg atom adsorption system of S vacancy …
DFT Simulations Investigating the Trap** of Sulfides by 1T-LixMoS2 and 1T-LixMoS2/Graphene Hybrid Cathodes in Li-S Batteries
The aim of this study is to investigate new materials that can be employed as cathode hosts
in Li-S batteries, which would be able to overcome the effect of the shuttling of soluble …
in Li-S batteries, which would be able to overcome the effect of the shuttling of soluble …
Electronic structure and optical properties of monolayer ZnTe under compressive and tensile strains
The optoelectronic domains of two-dimensional single-layer ZnTe in compressive and
tensile deformations are studied. The calculations are performed within the framework of …
tensile deformations are studied. The calculations are performed within the framework of …
Exploration of the structural, optoelectronic, magnetic, elastic, vibrational, and thermodynamic properties of molybdenum-based chalcogenides A2MoSe4 (A =Li, K) …
Context In the present work, the cubic phase of the chalcogenide materials, ie, A2MoSe4
(A= Li, K) is examined to explore the structural, optoelectronic, magnetic, mechanical …
(A= Li, K) is examined to explore the structural, optoelectronic, magnetic, mechanical …
The structural, stability, electronic, optical and thermodynamic properties of MoX2 (X= S, Se, and Te) under hydrostatic pressures: a plasmon approach and first …
Context The new equations have been developed for the structural and electronic properties
using the plasmon calculations for the first time for 2-D MoX2 structures. Literature shows …
using the plasmon calculations for the first time for 2-D MoX2 structures. Literature shows …
First-principles study of the electronic structure and optical properties of C-doped SnS2
N Yang, Y Wang, J Ji, Z Shi, G Liu, G Zhang - Journal of Molecular …, 2024 - Springer
Context Density functional theory (DFT) was used to investigate the effects of varying carbon
do** concentrations on the electronic and optical properties of SnS2-doped systems. The …
do** concentrations on the electronic and optical properties of SnS2-doped systems. The …
Optical gain and related proerties of GaSbN/GaSb quantum-well laser: numerical approach
S Hani, Y Saksak, A Gueddim… - … in Engineering and …, 2024 - ojs.studiespublicacoes.com.br
Currently, lasers are still of ongoing interest. They are used in a large range of practical
applications in our day life and across various fields. Utilizations include industry such as in …
applications in our day life and across various fields. Utilizations include industry such as in …
SnO2/SiO2/Si solar cell performance dependence on the interface states and the silica layer thickness
M Boukhalfa, Z Elbahi… - … in Engineering and …, 2024 - ojs.studiespublicacoes.com.br
Abstract The solar cell Metal Insulator Semiconuctor (MIS) SnO 2/SiO 2/Si where tin dioxide
(SnO 2) acts as the metal were studied. The silica layer (SiO 2) is the insulator, and Si is the …
(SnO 2) acts as the metal were studied. The silica layer (SiO 2) is the insulator, and Si is the …
Ab-initio study of structural, electronic and optical properties of NaCr1-xAlxP2O7 (x= 0.125 and x= 0.25)
H Belgacem, S Youcef… - … in Engineering and …, 2024 - ojs.studiespublicacoes.com.br
Sodium chromium pyrophosphate (NaCrP 2 O 7) blongs to a broader class of materials that
includes ASnP 2 O 7 and A 2 SnP 2 O 7 (A= Al, Ga, Fe, Mn, Co, Ni, Zn) which have an …
includes ASnP 2 O 7 and A 2 SnP 2 O 7 (A= Al, Ga, Fe, Mn, Co, Ni, Zn) which have an …