A review of recent progress in thermoelectric materials through computational methods
Reducing our overwhelming dependence on fossil fuels requires groundbreaking
innovations in increasing our efficiency in energy consumption for current technologies and …
innovations in increasing our efficiency in energy consumption for current technologies and …
State-of-the-art reviews and analyses of emerging research findings and achievements of thermoelectric materials over the past years
This review is focused on state-of-the-art thermoelectric materials (or thermoelements), from
which the thermoelements with the highest figures of merit (z) along with the those having …
which the thermoelements with the highest figures of merit (z) along with the those having …
Investigation of inherent properties of XScZ (X= Li, Na, K; Z= C, Si, Ge) half-Heusler compounds: appropriate for photovoltaic and thermoelectric applications
Here, we present the study of XScZ (X= Li, Na and K; Z= C, Si and Ge) half-Heusler
compounds within the density functional theory through full potential linearized augmented …
compounds within the density functional theory through full potential linearized augmented …
DFT study of RhTiP half Heusler semiconductor: Revealing its mechanical, optoelectronic, and thermoelectric properties
Semiconductors are important for improving green technology by efficiently converting,
storing, and transmitting renewable energy into electrical energy. A study was conducted to …
storing, and transmitting renewable energy into electrical energy. A study was conducted to …
Thermoelectric response of quaternary Heusler compound CrVNbZn
H Kara, MU Kahaly, K Özdoğan - Journal of Alloys and Compounds, 2018 - Elsevier
The electronic, magnetic and thermoelectric properties of CrVNbZn quaternary Heusler
compound are investigated by means of first-principles calculations in combination with …
compound are investigated by means of first-principles calculations in combination with …
First-principles calculations to investigate electronic, optical, thermodynamic and thermoelectric properties of new Na6ZnX4 (X= O, S, Se) ternary alloys
We report a first principle investigation on the new type of ternary semiconductor alloys Na 6
ZnX 4 (X= O, S, Se). Structural and elastic properties show that these elements present low …
ZnX 4 (X= O, S, Se). Structural and elastic properties show that these elements present low …
DFT study of cobalt based quaternary full‐Heusler compound for spintronics and thermoelectric technologies
M Mohammedi, Y Naceur, A Bentouaf… - Energy Storage, 2023 - Wiley Online Library
We report on a theoretical study of the elastic, thermic and transport properties of the
quaternary full Heusler alloy Co2VGa0. 25Al0. 75 using a full‐potential linearized …
quaternary full Heusler alloy Co2VGa0. 25Al0. 75 using a full‐potential linearized …
First-principles investigation of structural, mechanical, electronic, and thermoelectric properties of Half-Heusler compounds RuVX (X= As, P, and Sb)
The structural, mechanical, electronic, and transport properties of RuVX (As, P, and Sb) Half-
Heusler compounds are studied. The density functional theory (DFT) based on full-potential …
Heusler compounds are studied. The density functional theory (DFT) based on full-potential …
First principle calculations of the structural, elastic, electronic and transport properties of XRuAs (X= Ta and V)
JO Akinlami, OO Odeyemi, MO Omeike… - Materials Science in …, 2022 - Elsevier
The structural, electronic, elastic, and transport properties of Ruthenium Arsenide based
Tantalum and Vanadium (XRuAs (X= Ta and V)) half heusler alloys were investigated as a …
Tantalum and Vanadium (XRuAs (X= Ta and V)) half heusler alloys were investigated as a …
Electronic, optical and thermoelectric properties of Fe 2 ZrP compound determined via first-principles calculations
In this study, based on the density functional theory and semi-classical Boltzmann transport
theory, we investigated the structural, thermoelectric, optical and phononic properties of the …
theory, we investigated the structural, thermoelectric, optical and phononic properties of the …