A DFT Approach to Study the Vacancy Ordered lead free Double Inorganic Perovskites Na2PtX6 (X = Cl, Br) for Sustainable Technologies
The structural, optoelectronic, mechanical and thermoelectric features of Na2PtX6 (X= Cl
and Br) for renewable energy applications are inspected by means of density functional …
and Br) for renewable energy applications are inspected by means of density functional …
DFT Insights on the Future Prospects of Ba2PrXO6 (X = Ir, Pt) Double Perovskites for High-Energy Applications
Double perovskites are promising for solar cells, thermoelectric generators, and renewable
energy due to their stability, eco-friendly nature, lack of lead, and high performance. This …
energy due to their stability, eco-friendly nature, lack of lead, and high performance. This …
Exploring the structural, elastic, electronic and thermal properties of Ti-Al-Me (Me= Cu, Fe and Ni) alloys by first-principles studies
Y Song, Y Li, Z Zhang, X Zhao, J Tang, J Ni - Scientific Reports, 2024 - nature.com
The welding of titanium alloys is an important topic in today's industrial field, and the
interaction between the solder and the base material is crucial for the quality of the welded …
interaction between the solder and the base material is crucial for the quality of the welded …
Comprehensive analysis of structural, mechanical, optoelectronic, and thermodynamic properties of Ba2XBiO6 (X= Y, La) double perovskites using density functional …
N Rahman, M Husain, W Ullah… - Physica …, 2024 - iopscience.iop.org
The structural, mechanical, optoelectronic, and thermodynamic properties of Ba 2 XBiO 6
(X= Y, La) double perovskites are critically analyzed using density functional theory. The …
(X= Y, La) double perovskites are critically analyzed using density functional theory. The …
[HTML][HTML] Modelling of structural, mechanical, electronic, and optical properties of Rb2TlXF6 (X= Ir, Rh) double perovskite compounds through density functional theory
W Ullah, N Rahman, M Husain, WM Almalki… - Results in Physics, 2025 - Elsevier
This study utilizes density functional theory (DFT) with the Tran–Blaha modified Becke–
Johnson (TB-mBJ) exchange potential in the WIEN2k framework to comprehensively …
Johnson (TB-mBJ) exchange potential in the WIEN2k framework to comprehensively …
Pressure-induced physical properties of lead-free double perovskite oxides La2NiMnO6 for optoelectronic applications
ML Ali, SN Mim, Z Hossain, M Alam, H Maruf - Optical and Quantum …, 2025 - Springer
Recently, lead-free double perovskites have gathered significant attention in the research
community for their unique way of behaving, and multipurpose applications in memory …
community for their unique way of behaving, and multipurpose applications in memory …
First-Principles Research on the Growing Toughness of Iridium Alloyed with Tungsten
PW Shi, J Ma, F Bian, G Li - Available at SSRN 4973068 - papers.ssrn.com
Iridium alloy has excellent high temperature mechanical properties and corrosion
resistance, and is employed as cladding materials for radioisotope batteries. In this paper …
resistance, and is employed as cladding materials for radioisotope batteries. In this paper …