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 …
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 …
Revealing elastic, thermophysical, optoelectronic, and transport characteristics of halide double perovskites Na2TlSbZ6 (Z= Cl/Br/I) for eco-friendly technologies: DFT …
Halide double perovskites (HDPs) exhibit advantageous functional characteristics, making
them extremely suitable for utilization in photovoltaics and thermoelectrics. The current …
them extremely suitable for utilization in photovoltaics and thermoelectrics. The current …
Investigation of Promising Lead-Free Double Perovskites Rb2TlBiZ6 (Z=Cl, Br, and I) as Sustainable Alternatives for Photovoltaic and Wasted Heat Conversion …
Halide-based lead-free double perovskites (DPs) have garnered significant attention in
recent times due to their applicability for optoelectronic and solar energy systems. This study …
recent times due to their applicability for optoelectronic and solar energy systems. This study …
[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 …