Band gap tuning of non-toxic Sr-based perovskites CsSrX3 (X= Cl, Br) under pressure for improved optoelectronic applications
MD Saiduzzaman, T Ahmed, KM Hossain… - Materials Today …, 2023 - Elsevier
For technological applications in optoelectronic devices, non-toxic halide perovskite
materials' have crucial inherent and enhanced properties. From this perspective, the current …
materials' have crucial inherent and enhanced properties. From this perspective, the current …
First principle study of optoelectronic and mechanical properties of lead-free double perovskites Cs2SeX6 (X = Cl, Br, I)
TI Al-Muhimeed, AI Aljameel, A Mera… - Journal of Taibah …, 2022 - Taylor & Francis
The variant double perovskites are considered novel materials for solar cells and
optoelectronic applications. Here, we explored electronic, mechanical, and optical …
optoelectronic applications. Here, we explored electronic, mechanical, and optical …
[HTML][HTML] A comprehensive DFT based insights into the physical properties of tetragonal superconducting Mo5PB2
Tetragonal Mo 5 PB 2, a recently discovered superconductor, is an extension of transition
metal binaries with general formula T 5 M 3. A large number of physical properties of Mo 5 …
metal binaries with general formula T 5 M 3. A large number of physical properties of Mo 5 …
Exploring the structural, elastic, phonon, optoelectronics, and thermoelectric properties of tetragonal complex metal hydride X2MgH4 (X= K, Rb, and Cs) compounds …
Ç Yamçıçıer - International Journal of Hydrogen Energy, 2023 - Elsevier
Hydrogen storage is of great interest to researchers due to its renewable and clean energy
properties. Therefore, there is a continuous search for innovative compounds that can …
properties. Therefore, there is a continuous search for innovative compounds that can …
[HTML][HTML] DFT based comparative analysis of the physical properties of some binary transition metal carbides XC (X= Nb, Ta, Ti)
Binary metallic carbides belong to technologically prominent class of compounds. Present
work theoretically explores the structural, mechanical, optoelectronic, and some thermal …
work theoretically explores the structural, mechanical, optoelectronic, and some thermal …
Computational evaluation of comprehensive properties of MgX3H8 (X= Sc, Ti and Zr) as effective solid state hydrogen storage materials
In this study, structural, mechanical, electronic, dynamic, thermodynamic and hydrogen
storage properties of MgX 3 H 8 (X= Sc, Ti, Zr) were investigated by means of density …
storage properties of MgX 3 H 8 (X= Sc, Ti, Zr) were investigated by means of density …
[HTML][HTML] First principles study of mechanical, thermal, electronic, optical and superconducting properties of C40-type germanide-based MGe2 (M= V, Nb and Ta)
Non-centrosymmetric germanide-based superconductors have recently attracted particular
attention because of their unconventional physical properties. In the present study, we …
attention because of their unconventional physical properties. In the present study, we …
Exploration of the physical properties of the newly synthesized kagome superconductor LaIr 3 Ga 2 using different exchange–correlation functionals
LaIr3Ga2 is a kagome superconductor with a superconducting temperature (Tc) of 5.16 K.
Here, we present the physical properties of the LaIr3Ga2 kagome superconductor computed …
Here, we present the physical properties of the LaIr3Ga2 kagome superconductor computed …
[HTML][HTML] Metallic boro-carbides of A 2 BC (A= Ti, Zr, Hf and W): a comprehensive theoretical study for thermo-mechanical and optoelectronic applications
High-hardness materials with ductile deformation behavior have recently piqued interest
due to their prospective applications, particularly as hard and protective coatings. The crack …
due to their prospective applications, particularly as hard and protective coatings. The crack …
[HTML][HTML] A comprehensive study of the thermophysical and optoelectronic properties of Nb2P5 via ab-initio technique
MI Naher, SH Naqib - Results in Physics, 2021 - Elsevier
Binary metallic phosphide, Nb 2 P 5, belongs to important class of materials from the stand
point of engineering applications. Quite surprisingly, a large number of physical properties of …
point of engineering applications. Quite surprisingly, a large number of physical properties of …