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Synthesis, characterization, and structure computational calculations of the oxycalcogenide LaCuOSe for thermoelectric applications
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 w...
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creator | Melchor-Robles, J.A. Diaz-Rodriguez, T.G. Martinez-Reyes, Jacobo Maldonado-Alvarez, A. De La Luz Olvera-Amador, Maria |
description | 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. |
doi_str_mv | 10.1109/CCE53527.2021.9633074 |
format | conference_proceeding |
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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. 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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.</description><subject>Diffraction</subject><subject>Discrete Fourier transforms</subject><subject>LaCOSe</subject><subject>Metals</subject><subject>oxycalcogenides</subject><subject>p-type semiconductors</subject><subject>Photonic band gap</subject><subject>Raman scattering</subject><subject>Scanning electron microscopy</subject><subject>thermoelectric materials</subject><subject>Vibrations</subject><issn>2642-3766</issn><isbn>9781665400299</isbn><isbn>1665400293</isbn><fulltext>true</fulltext><rsrctype>conference_proceeding</rsrctype><creationdate>2021</creationdate><recordtype>conference_proceeding</recordtype><sourceid>6IE</sourceid><recordid>eNotUM1KAzEYjIJgqX0CEfIA3ZqfTbI5ylJ_oNBD9Vyyybc2st0sSRasV1_c1vYyw8wwcxiEHihZUEr0Y10vBRdMLRhhdKEl50SVV2imVUWlFCUhTOtrNGGyZAVXUt6iWUpfhBBO9RHkBP1uDn3eQfJpju3ORGMzRP9jsg_9HJve4ZTjaPMYAduwH8b8H5kOW9PZsftXCYcWH1dw-D6c7PAJvXeAV6Ye1xvAbYinOO4DdGBz9BabYei8Pbfv0E1rugSzC0_Rx_PyvX4tVuuXt_ppVXhGeC5a23DinNTOKdEQ4VirpGvBaa2lkKqpTEXbRmhiTFlSpwAqDiWppBX2eAafovvzrgeA7RD93sTD9nIb_wMxvWXa</recordid><startdate>20211110</startdate><enddate>20211110</enddate><creator>Melchor-Robles, J.A.</creator><creator>Diaz-Rodriguez, T.G.</creator><creator>Martinez-Reyes, Jacobo</creator><creator>Maldonado-Alvarez, A.</creator><creator>De La Luz Olvera-Amador, Maria</creator><general>IEEE</general><scope>6IE</scope><scope>6IL</scope><scope>CBEJK</scope><scope>RIE</scope><scope>RIL</scope></search><sort><creationdate>20211110</creationdate><title>Synthesis, characterization, and structure computational calculations of the oxycalcogenide LaCuOSe for thermoelectric applications</title><author>Melchor-Robles, J.A. ; Diaz-Rodriguez, T.G. ; Martinez-Reyes, Jacobo ; Maldonado-Alvarez, A. ; De La Luz Olvera-Amador, Maria</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-i203t-fcb30dd69dd75b05d2f76dfed9996567b8a81fb590aa441d7ee83e4086c5c5403</frbrgroupid><rsrctype>conference_proceedings</rsrctype><prefilter>conference_proceedings</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Diffraction</topic><topic>Discrete Fourier transforms</topic><topic>LaCOSe</topic><topic>Metals</topic><topic>oxycalcogenides</topic><topic>p-type semiconductors</topic><topic>Photonic band gap</topic><topic>Raman scattering</topic><topic>Scanning electron microscopy</topic><topic>thermoelectric materials</topic><topic>Vibrations</topic><toplevel>online_resources</toplevel><creatorcontrib>Melchor-Robles, J.A.</creatorcontrib><creatorcontrib>Diaz-Rodriguez, T.G.</creatorcontrib><creatorcontrib>Martinez-Reyes, Jacobo</creatorcontrib><creatorcontrib>Maldonado-Alvarez, A.</creatorcontrib><creatorcontrib>De La Luz Olvera-Amador, Maria</creatorcontrib><collection>IEEE Electronic Library (IEL) Conference Proceedings</collection><collection>IEEE Proceedings Order Plan All Online (POP All Online) 1998-present by volume</collection><collection>IEEE Xplore All Conference Proceedings</collection><collection>IEEE/IET Electronic Library</collection><collection>IEEE Proceedings Order Plans (POP All) 1998-Present</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext_linktorsrc</fulltext></delivery><addata><au>Melchor-Robles, J.A.</au><au>Diaz-Rodriguez, T.G.</au><au>Martinez-Reyes, Jacobo</au><au>Maldonado-Alvarez, A.</au><au>De La Luz Olvera-Amador, Maria</au><format>book</format><genre>proceeding</genre><ristype>CONF</ristype><atitle>Synthesis, characterization, and structure computational calculations of the oxycalcogenide LaCuOSe for thermoelectric applications</atitle><btitle>2021 18th International Conference on Electrical Engineering, Computing Science and Automatic Control (CCE)</btitle><stitle>CCE</stitle><date>2021-11-10</date><risdate>2021</risdate><spage>1</spage><epage>5</epage><pages>1-5</pages><eissn>2642-3766</eissn><eisbn>9781665400299</eisbn><eisbn>1665400293</eisbn><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.</abstract><pub>IEEE</pub><doi>10.1109/CCE53527.2021.9633074</doi><tpages>5</tpages></addata></record> |
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language | eng |
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source | IEEE Xplore All Conference Series |
subjects | Diffraction Discrete Fourier transforms LaCOSe Metals oxycalcogenides p-type semiconductors Photonic band gap Raman scattering Scanning electron microscopy thermoelectric materials Vibrations |
title | Synthesis, characterization, and structure computational calculations of the oxycalcogenide LaCuOSe for thermoelectric applications |
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