Ab initio study for the structural, electronic, magnetic, optical, and thermoelectric properties of K2OsX6 (X = Cl, Br) compounds
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Energy Research"
DOI: 10.1002/er.5613
Abstract: Density‐functional theory based, first‐principles spin‐polarized calculations of the structural, electronic, magnetic, optical, and thermoelectric characteristics of K2OsX6 (X = Cl, Br) are presented. Structural optimization confirms the stability of these compounds in ferromagnetic phase with… read more here.
Keywords: optical thermoelectric; electronic magnetic; k2osx6 compounds; thermoelectric ... See more keywords
A theoretical investigation of the lead-free double perovskites halides Rb2 XCl6 (X = Se, Ti) for optoelectronic and thermoelectric applications.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of computational chemistry"
DOI: 10.1002/jcc.27119
Abstract: In this study, structural, electronic, optical, thermoelectric, and thermodynamics properties of vacancy‐ordered double perovskites Rb2XCl6 (X = Se, Ti) were explored theoretically. The results revealed that Rb2SeCl6 and Rb2TiCl6 are indirect band gap (Eg) semiconductors with Eg… read more here.
Keywords: lead free; investigation lead; thermoelectric; double perovskites ... See more keywords
First-principles investigations of the electronic, magnetic and thermoelectric properties of VTiRhZ (Z= Al, Ga, In) Quaternary Heusler alloys
Sign Up to like & getrecommendations! Published in 2021 at "Materials Chemistry and Physics"
DOI: 10.1016/j.matchemphys.2021.125685
Abstract: Calculations using density functional theory (DFT) were performed to investigate the structural, dynamical, mechanical, electronic, magnetic, and thermoelectric properties of VTiRhZ (Z = Al, Ga, In) alloys. The most stable structure of these alloys was… read more here.
Keywords: electronic magnetic; thermoelectric; properties vtirhz; thermoelectric properties ... See more keywords
An investigation of structural, elastic, mechanical, electronic, magnetic and thermoelectric properties of ferromagnetic half metallic EuCrO3
Sign Up to like & getrecommendations! Published in 2021 at "Materials Science in Semiconductor Processing"
DOI: 10.1016/j.mssp.2020.105487
Abstract: Abstract We report the structural, elastic, mechanical, electronic, magnetic and thermoelectric properties of europium based cubic perovskites, EuCrO3 via precise spin-polarized density functional theory based on full-potential linearized augmented plane wave method as implemented in… read more here.
Keywords: thermoelectric properties; structural elastic; thermoelectric; mechanical electronic ... See more keywords
Hydride Synthesis and Thermoelectric Properties of Type-I Clathrate K8E8Ge38 (E = Al, Ga, In).
Sign Up to like & getrecommendations! Published in 2019 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.8b02977
Abstract: Type I clathrates of the composition K8E8Ge38 (E = Al, Ga, In) were prepared via the reaction of KH with E and Ge and thermoelectric properties measured in order to compare to K8Al8Si38, a promising… read more here.
Keywords: hydride synthesis; thermoelectric properties; thermoelectric; seebeck coefficient ... See more keywords
Observation of anomalously large Nernst effects in conducting polymers
Sign Up to like & getrecommendations! Published in 2025 at "Nature Communications"
DOI: 10.1038/s41467-025-55976-x
Abstract: As a fundamental thermoelectric phenomenon in many solid-state materials, the Nernst effect has yet to be observed in conducting polymers. This knowledge could provide important insight into their elusive mechanism, which are crucial for flexible… read more here.
Keywords: nernst effects; mobility; conducting polymers; large nernst ... See more keywords
Investigation of the electronic structure, mechanical and thermoelectric properties of novel semiconductor compounds: XYTe (X=Ti/Sc; Y= Fe/Co)
Sign Up to like & getrecommendations! Published in 2023 at "Physical Chemistry Chemical Physics"
DOI: 10.1039/d3cp01478a
Abstract: We report the structural, mechanical, electronic, phonon, and thermoelectric properties of new XYTe (X= Ti/Sc; Y = Fe/Co) half-Heusler compounds by employing the first principles based DFT computation and Boltzmann... read more here.
Keywords: mechanical thermoelectric; structure mechanical; electronic structure; investigation electronic ... See more keywords
First-principle investigation of lead-free double perovskites Cs2MScCl6 (M = Na, K) for optoelectronic and thermoelectric applications
Sign Up to like & getrecommendations! Published in 2024 at "Physica Scripta"
DOI: 10.1088/1402-4896/ad38e9
Abstract: Double perovskite optoelectronic devices are gaining popularity due to their advantageous features, such as an efficient and easy-to-manage crystalline structure. In this study, we looked into the optoelectronic, mechanical, and thermoelectric attributes of Cs2MScCl6 (with… read more here.
Keywords: principle investigation; free double; first principle; lead free ... See more keywords
Exploring the electronic, optical, and thermoelectric features of BaXCu3Se4 (X = In, Tl) quaternary chalcogenides: first-principles study
Sign Up to like & getrecommendations! Published in 2024 at "Physica Scripta"
DOI: 10.1088/1402-4896/ad51b4
Abstract: The tunable optical characteristics and superior thermal stability of Indium and Thallium-based quaternary chalcogenides are significant. We studied the intricate relationship between the optoelectronic, and thermoelectric features of notable BaXCu3Se4 (X = In, Tl) quaternary… read more here.
Keywords: baxcu3se4 quaternary; band; thermoelectric features; exploring electronic ... See more keywords
Tuning of optical, thermodynamic, and thermoelectric properties of Cs2CuBiX6 (X = Cl, Br, I) halide perovskites for solar cells and energy harvesting applications
Sign Up to like & getrecommendations! Published in 2024 at "Physica Scripta"
DOI: 10.1088/1402-4896/ad74b4
Abstract: The double perovskites are outstanding materials for solar cells and transport applications to clean harvest energy. Therefore, the Cs2CuBiX6 (X = Cl, Br, I) are discussed comprehensively for energy harvesting by modified Becke and Johnson… read more here.
Keywords: energy; solar cells; energy harvesting; band gap ... See more keywords
Review of the Thermoelectric Properties in Nanostructured Fe2VAl
Sign Up to like & getrecommendations! Published in 2018 at "Metals"
DOI: 10.3390/met8110864
Abstract: Besides alloying, nanostructuring was implemented to improve the thermoelectric properties in Fe2VAl. This Heusler alloy indeed displays a thermoelectric figure of merit too small for applications (ZT ~ 0.1 at 300 K) which is caused… read more here.
Keywords: thermoelectric properties; thermoelectric; properties nanostructured; review thermoelectric ... See more keywords