Synthesis, characterization, and structure computational calculations of the oxycalcogenide LaCuOSe for thermoelectric applications | IEEE Conference Publication | IEEE Xplore

Synthesis, characterization, and structure computational calculations of the oxycalcogenide LaCuOSe for thermoelectric applications

Publisher: IEEE

Abstract:

The synthesis of the LaCuOSe compound was carried ou via solid-state reaction. The synthesized samples were analyzed by xray diffraction, scanning electron microscopy, an...View more

Abstract:

The synthesis of the LaCuOSe compound was carried ou via solid-state reaction. The synthesized samples were analyzed by xray diffraction, scanning electron microscopy, and RAMAN spectroscopy. The LaCuOSe compound shows the existence of traces of the La2Cu (SeO3) 4 phase. Computational calculations were performed to determine the electronic structure and estimate the band gap energy using the Density Functional Theory, DFT, using the screened hybrid functional HSE06.
Date of Conference: 10-12 November 2021
Date Added to IEEE Xplore: 14 December 2021
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ISSN Information:

Publisher: IEEE
Conference Location: Mexico City, Mexico

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