[HTML][HTML] Novel Tl2GeX6 (X= Cl, Br) double perovskites for solar cell, optoelectronic, and thermoelectric applications: A DFT investigation
This study aims to investigate the structural, mechanical, optical, electronic, and
thermoelectric properties of novel double perovskites Tl 2 GeCl 6 and Tl 2 GeBr 6. The …
thermoelectric properties of novel double perovskites Tl 2 GeCl 6 and Tl 2 GeBr 6. The …
First principles investigation of double perovskites Li2CuAsZ6 (Z= Cl, Br, I) as a suitable alternatives for energy conversion technologies
HI Ali, A Ayyaz, HD Alkhaldi, NM Alresheedi… - Inorganic Chemistry …, 2025 - Elsevier
The present study employs density functional theory to examine the physical properties of
halide double perovskites Li 2 CuAsZ 6 (Z= Cl, Br, I). The stability of the phase has been …
halide double perovskites Li 2 CuAsZ 6 (Z= Cl, Br, I). The stability of the phase has been …
Exploring the Multifunctional Properties of Tm‐Doped AlxGa1−xN Alloys: From Potoluminescence to Spintronics
This study delves into the electronic, magnetic, and optical properties of Tm‐doped wurtzite
Al x Ga1− x N alloys, utilizing first‐principles density functional theory (DFT) calculations. By …
Al x Ga1− x N alloys, utilizing first‐principles density functional theory (DFT) calculations. By …
Investigating the electronic structure, elastic, optical, and thermoelectric nature of novel AsIrX (X= S, Se, Te) ternary chalcogenides
The high thermal stability and adjustable optoelectronic properties of ternary chalcogenide
semiconductors make them distinguishable among various classes of materials. Using the …
semiconductors make them distinguishable among various classes of materials. Using the …
Density-Functional Theory based Structural, Mechanical, Thermal, Electronic, and Thermoelectric Properties of Zr2XNiSb2 (Where X= Fe, Pd, Pt) Double Half-Heusler …
This study investigated the structural, mechanical, thermal, electronic, and thermoelectric
properties of double half-Heusler (DHH) alloys Zr 2 XNiSb 2 (X= Fe, Pd, Pt) by density …
properties of double half-Heusler (DHH) alloys Zr 2 XNiSb 2 (X= Fe, Pd, Pt) by density …
[PDF][PDF] Chemical Physics Impact
This study aims to investigate the structural, mechanical, optical, electronic, and
thermoelectric properties of novel double perovskites Tl2GeCl6 and Tl2GeBr6. The …
thermoelectric properties of novel double perovskites Tl2GeCl6 and Tl2GeBr6. The …