A new lead free double perovskites K2Ti (Cl/Br) 6; a promising materials for optoelectronic and transport properties; probed by DFT
Double perovskites are outstanding materials for optoelectronic and renewable energy
applications. In the present study, we explored the optical and thermoelectric properties of K …
applications. In the present study, we explored the optical and thermoelectric properties of K …
Electronic, magnetic and transport properties of anti-ferromagnetic semiconductor BaGd2X4 (XS, Se)
XP Wei, LL Du, J Shen, ZQ Sun, ZM Zhang… - Materials Science in …, 2024 - Elsevier
Thermoelectric materials, which are a functional ones that directly convert heat energy into
electrical energy without any pollution, have attend widespread concentration. In the current …
electrical energy without any pollution, have attend widespread concentration. In the current …
First principle study of lead‐free double perovskites halides Rb2Pd(Cl/Br)6 for solar cells and renewable energy devices: A quantum DFT
Lead‐free double perovskites are promising materials for environmental friendly
photovoltaics and other optoelectronics. In this article, optical, thermoelectric, and …
photovoltaics and other optoelectronics. In this article, optical, thermoelectric, and …
Half-metallic ferromagnetism and thermoelectric properties of double perovskites Rb2Z (Cl/Br) 6 (Z= Ta, W, Re)
The charge and spin degrees of freedom of electrons employed together introduce a new
field of electronics, known as spintronics, which has multifunctional applications in data …
field of electronics, known as spintronics, which has multifunctional applications in data …
Investigation of electronic, optical, and thermoelectric properties of half-metallic spinel X2NO4 (X= B, Al): First-principles calculations
The cubic spinel structure of B 2 NO 4 and Al 2 NO 4 was investigated using ab-initio
calculations for a better understanding of their electronic, bonding, and thermo-optical …
calculations for a better understanding of their electronic, bonding, and thermo-optical …
First-principles calculations to investigate structural, mechanical, electronic, optical, and thermoelectric properties of novel cubic double Perovskites X2AgBiBr6 (X= Li …
NA Aqtash, SM Al Azar, AY Al-Reyahi… - Molecular …, 2023 - Taylor & Francis
ABSTRACT Structural, elastic, electronic, optical, and thermoelectric properties of cubic
double perovskites X2AgBiBr6 (X= Li, Na, K, Rb, Cs) were investigated using the density …
double perovskites X2AgBiBr6 (X= Li, Na, K, Rb, Cs) were investigated using the density …
Analysis of Mg-based spinels MgGd2X4 (X= S, Se) for spintronic and thermoelectric device applications: Ab-initio calculations
NA Noor, MA Majeed, MA Khan, S Niaz… - Materials Science in …, 2022 - Elsevier
The spin-dependent magnetic, thermoelectric, and electronic characteristics of Mg-based
spinels MgGd 2 X 4 (X= S, Se) are investigated using density functional theory (DFT) …
spinels MgGd 2 X 4 (X= S, Se) are investigated using density functional theory (DFT) …
Comparative DFT-based investigation of physical properties of Cs2MBiBr6 (M= Ag, Cu, and Au) Perovskites: Sustainable materials for renewable energy
The structural, elastic, optoelectronic, optical, and thermoelectric features of Cs 2 MBiBr 6
(M= Ag, Cu, and Au) were investigated through density functional theory (DFT) analysis. The …
(M= Ag, Cu, and Au) were investigated through density functional theory (DFT) analysis. The …
Study of optoelectronic and transport properties of MgLu2Z4 (Z= S, Se) spinels for optoelectronic and energy harvesting applications
Intense research has been done to build materials that are potential candidates for energy
storage applications. Spinels are of great interest in this respect because they have vast …
storage applications. Spinels are of great interest in this respect because they have vast …
First principle study of optoelectronic and thermoelectric properties of magnesium based MgX2O4 (X= Sb, Bi) spinels
M mana Al-anazy, T Zelai, A Rahim, AA AlObaid… - Journal of Solid State …, 2021 - Elsevier
The structural, electronic, optical, and thermoelectric properties of MgX 2 O 4 (X= Sb, Bi)
are addressed by density functional theory (DFT). The thermodynamic stability is confirmed …
are addressed by density functional theory (DFT). The thermodynamic stability is confirmed …