Search Results - "Khuili, M"
-
1
First-principles investigation of structural, elastic, thermodynamic, electronic and optical properties of lead-free double perovskites halides: Cs2LiYX6 (X = Br, I)
Published in Materials chemistry and physics (15-01-2021)“…We present a comprehensive first-principles study on the physical properties of the lead-free double perovskites halides, Cs2LiYX6 (X = Br, I). Our calculated…”
Get full text
Journal Article -
2
Improvement of optical properties of Mg doped ZnO by nanostructuring for applications in optoelectronics
Published in Materials research express (01-02-2020)“…We have studied the structural, optical, electronic and electrical properties of pure and Mg doped ZnO nanosheets compared to bulk ZnO, using the Density…”
Get full text
Journal Article -
3
Experimental and DFT investigations of Al-doped ZnO nanostructured thin films
Published in Chemical physics impact (01-06-2024)“…Al doped ZnO thin films at different concentrations have been successfully synthesized, characterized experimentally, and investigated theoretically by density…”
Get full text
Journal Article -
4
DFT study of electronic and electrical properties of stana-silicene as a novel 2D nanomaterial
Published in Optical and quantum electronics (01-09-2020)“…In this paper, we reported a computational study of the 2-D nanomaterial (SnSi) as a possible new nanomaterial to be synthesized. This study is chiefly based…”
Get full text
Journal Article -
5
DFT analysis of Cs2NaBiCl6, Cs2NaBiBr6, and Cs2NaBiI6 perovskites for optoelectronic and thermoelectric applications
Published in Computational and theoretical chemistry (01-08-2024)“…[Display omitted] •Cs2NaBiX6 (X = Cl, Br, I) perovskites are mechanically stable and ductile.•Efficient absorption of the three perovskites in the ultraviolet…”
Get full text
Journal Article -
6
Electronic and electrical properties of two single-layer tetragonal silicon carbides
Published in Chemical physics letters (01-09-2020)“…[Display omitted] •Electronic properties of two Single-layer Tetragonal Silicon Carbides.•Optical properties of two Single-layer Tetragonal Silicon…”
Get full text
Journal Article -
7
Structural, elastic, thermodynamic, electronic, optical and thermoelectric properties of MgLu2X4 (X= S, Se) spinel compounds from ab-initio calculations
Published in Materials science in semiconductor processing (15-06-2021)“…Computational investigations, concerning structural, elastic, electronic, optical, and thermometric properties of the MgLu2X4 (X = S, Se) spinel compounds are…”
Get full text
Journal Article -
8
First-principles calculations of rare earth (RE=Tm, Yb, Ce) doped ZnO: Structural, optoelectronic, magnetic, and electrical properties
Published in Vacuum (01-11-2020)“…A comparative study of wurtzite ZnO doped by rare earth elements (Tm, Yb, Ce) which have been investigated using density functional theory implemented in…”
Get full text
Journal Article -
9
Electronic, magnetic and optical properties of monolayer (ML) hexagonal ZnSe on vacancy defects at Zn sites from DFT-1/2 approach
Published in Vacuum (01-12-2020)“…In this work, we have investigated the electronic, magnetic and optical properties of hexagonal monolayer ZnSe compound via atomic vacancy defects by using…”
Get full text
Journal Article -
10
Electronic, magnetic, optical and transport properties of wurtzite-GaN doped with rare earth (RE= Pm, Sm, and Eu): First principles approach
Published in Surfaces and interfaces (01-06-2021)“…A density functional theory (DFT) and semiclassical Boltzmann transport equations (BTE) has been used to explore the electronic, magnetic, optical and…”
Get full text
Journal Article -
11
First-principles calculation of (Al,Ga) co-doped ZnO
Published in Computational Condensed Matter (01-12-2019)Get full text
Journal Article -
12
(Li,F) co-doped ZnO: Optoelectronic devices applications
Published in Superlattices and microstructures (01-09-2020)“…One of the challenging tasks of ZnO is to make its p-type doping stable. However, the physical mechanism behind the experimental phenomena of stable ZnO p-type…”
Get full text
Journal Article -
13
DFT study of rare earth (Tm, Yb, Ce) doped ZnO: structural, optoelectronic and electrical properties
Published 22-04-2020“…A comparative study of wurtzite ZnO doped by rare earth elements (Tm, Yb, Ce) have been investigated using density functional theory (DFT) based on the…”
Get full text
Journal Article