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   Articles with "electronic thermoelectric" as a keyword



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First-principles Studies of the Electronic and Thermoelectric Properties of Misfit Layered Phases of Calcium Cobaltite

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recommendations! Published in 2017 at "Israel Journal of Chemistry"

DOI: 10.1002/ijch.201600065

Abstract: The electronic and thermoelectric properties of two phases of calcium cobaltite, a misfit layered compound, are investigated and compared using first-principles DFT calculations. The two phases considered here include the conventional bulk phase that consists… read more here.

Keywords: electronic thermoelectric; phase; thermoelectric properties; misfit layered ... See more keywords
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Electronic and Thermoelectric Properties of Graphene on 4H-SiC (0001) Nanofacets Functionalized with F4-TCNQ

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recommendations! Published in 2020 at "Journal of Electronic Materials"

DOI: 10.1007/s11664-020-08201-y

Abstract: The functionalization of graphene is a well-established route for modulating its optoelectronic properties for a wide range of applications. Here, we studied, using photoemission spectroscopies and synchrotron radiation, the band structure upon evaporation of a… read more here.

Keywords: electronic thermoelectric; sic 0001; properties graphene; thermoelectric properties ... See more keywords
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First principles study of structural, electronic and thermoelectric properties of skutterudite GdFe4As12 compounds

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recommendations! Published in 2020 at "Chinese Journal of Physics"

DOI: 10.1016/j.cjph.2019.11.021

Abstract: Abstract The full potential linearized augmented plane wave (FP-LAPW) method has been used to investigate structural, electronic and thermoelectric properties of Skutterudite GdFe4As12 compounds in the framework of the density functional theory (DFT) within the… read more here.

Keywords: electronic thermoelectric; thermoelectric properties; skutterudite gdfe4as12; structural electronic ... See more keywords
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Cubic PbGeO3 perovskite oxide: A compound with striking electronic, thermoelectric and optical properties, explored using DFT studies

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recommendations! Published in 2021 at "Computational Condensed Matter"

DOI: 10.1016/j.cocom.2020.e00532

Abstract: Abstract An in-detail study of cubic structured perovskite oxide, PbGeO3 has been performed using first principles calculations to speculate its structural, electronic, thermoelectric and optical characteristics. We have employed different exchange functionals to accurately compute… read more here.

Keywords: electronic thermoelectric; thermoelectric optical; cubic pbgeo3; optical properties ... See more keywords
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Electronic and thermoelectric properties of some CuH crystals

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recommendations! Published in 2018 at "Computational Materials Science"

DOI: 10.1016/j.commatsci.2018.04.011

Abstract: Abstract The first-principles calculations under the framework of density functional theory are applied to unveil electronic and thermoelectric properties of a few crystals of CuH. Lattice parameters of the B1, B2, B3 and B4 crystals… read more here.

Keywords: electronic thermoelectric; thermoelectric properties; cuh crystals; properties cuh ... See more keywords
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Electronic and thermoelectric properties of FeRh Pd-doped alloys: Ab initio study

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recommendations! Published in 2021 at "Journal of Magnetism and Magnetic Materials"

DOI: 10.1016/j.jmmm.2021.168258

Abstract: Abstract In this work, spin polarized total energy calculations were carried out to investigate the structural, energetic, magnetic and thermoelectric properties of Fe50Rh50-xPdx (x = 1.9, 3.7, 5.6, 6.3, 7.4, 9.3, 12.5, 18.8 and 25.0) and to… read more here.

Keywords: properties ferh; ferh doped; afm phase; electronic thermoelectric ... See more keywords
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Effects of Ga substitution on electronic and thermoelectric properties of gapless semiconductor V3Al

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recommendations! Published in 2019 at "RSC Advances"

DOI: 10.1039/c8ra10471a

Abstract: Reduced thermal conductivity and enhanced thermoelectric efficiency was demonstrated by Ga substitution for Al at room temperature in p-type V3Al1−xGax. read more here.

Keywords: effects substitution; properties gapless; gapless semiconductor; electronic thermoelectric ... See more keywords
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Investigation of structural, opto-electronic and thermoelectric properties of titanium based chloro-perovskites XTiCl3 (X = Rb, Cs): a first-principles calculations

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recommendations! Published in 2023 at "RSC Advances"

DOI: 10.1039/d3ra00200d

Abstract: Perovskites are a significant class of materials with diverse uses in modern technology. The structural, electronic, elastic, thermoelectric, and optical properties of RbTiCl3 and CsTiCl3 perovskites were estimated using the FP-LAPW method within the framework… read more here.

Keywords: structural opto; electronic thermoelectric; opto electronic; properties titanium ... See more keywords
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Electronic and thermoelectric properties of atomically thin C3Si3/C and C3Ge3/C superlattices.

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recommendations! Published in 2017 at "Nanotechnology"

DOI: 10.1088/1361-6528/aa9ebb

Abstract: The nanostructuring of graphene into superlattices offers the possibility of tuning both the electronic and thermal properties of graphene. Using classical and quantum mechanical calculations, we have investigated the electronic and thermoelectric properties of the… read more here.

Keywords: electronic thermoelectric; thermoelectric properties; c3si3 c3ge3; c3si3 ... See more keywords
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Effect of Sr substitution on the structural, electronic and thermoelectric properties of the Zintl-phase compound BaZn 2 Sb 2

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recommendations! Published in 2023 at "Physica Scripta"

DOI: 10.1088/1402-4896/accfd0

Abstract: The structural, electronic, and thermoelectric properties of Ba1−x Sr x Zn2Sb2 (x = 0, 0.25, 0.5, and 0.75) are studied by the full-potential linearized augmented plane wave (FP-LAPW) method in the density functional theory (DFT)… read more here.

Keywords: substitution; electronic thermoelectric; structural electronic; phase ... See more keywords
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Evaluation of In Doped GaAs Alloys to Optimize Electronic, Thermoelectric and Mechanical Properties

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recommendations! Published in 2022 at "Materials"

DOI: 10.3390/ma15051781

Abstract: The electronic, mechanical and transport properties of the In substitution in GaAs are investigated by the TB-mBJ potential, BoltzTraP code and Charpin tensor matrix analysis using Wien2k code. The formation energies of the alloys Ga1−xInxAs… read more here.

Keywords: electronic thermoelectric; gaas alloys; alloys optimize; evaluation doped ... See more keywords