{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,8]],"date-time":"2026-10-08T16:28:21Z","timestamp":1791476901653,"version":"4.3.4"},"reference-count":31,"publisher":"MDPI AG","issue":"22","license":[{"start":{"date-parts":[[2024,11,7]],"date-time":"2024-11-07T00:00:00Z","timestamp":1730937600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"\u201cExcellence initiative\u2013research university\u201d program for the AGH University of Science and Technology","award":["5218"],"award-info":[{"award-number":["5218"]}]},{"name":"\u201cExcellence initiative\u2013research university\u201d program for the AGH University of Science and Technology","award":["PLG\/2022\/016040"],"award-info":[{"award-number":["PLG\/2022\/016040"]}]},{"name":"Polish high-performance computing infrastructure PLGrid (HPC Centers: ACK Cyfronet AGH)","award":["5218"],"award-info":[{"award-number":["5218"]}]},{"name":"Polish high-performance computing infrastructure PLGrid (HPC Centers: ACK Cyfronet AGH)","award":["PLG\/2022\/016040"],"award-info":[{"award-number":["PLG\/2022\/016040"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Materials"],"abstract":"<jats:p>The aim of this work was to investigate the possibility of doping copper sulfide Cu2S with selected fifth-group elements, potentially having a positive effect on the thermoelectric properties of the resulting materials. For the selected model structures, theoretical calculations and an analysis of the electronic structure and changes in the enthalpy of formation due to doping were performed using the WIEN2k package employing the Full-Potential Linearized Augmented Plane Wave (FP-LAPW) method within density functional theory (DFT) formalism. Polycrystalline materials with the nominal composition of Cu32S15X1 (X = P, As, Sb, Bi) were synthesized in quartz ampoules, then sintered using the spark plasma sintering (SPS) technique and \u201cSPS melting\u201d method. The chemical and phase compositions of the obtained sinters were studied by X-Ray diffraction (XRD) and scanning electron microscopy (SEM). Additionally, investigations of thermoelectric properties, i.e., electrical conductivity, Seebeck coefficient and thermal conductivity in the temperature range 300\u2013920 K, were performed. The results of this study indicate that only phosphorus is successfully incorporated into the Cu\u2082S structure.<\/jats:p>","DOI":"10.3390\/ma17225440","type":"journal-article","created":{"date-parts":[[2024,11,7]],"date-time":"2024-11-07T09:24:13Z","timestamp":1730971453000},"page":"5440","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":11,"title":["Thermoelectric Properties of Cu2S Doped with P, As, Sb and Bi\u2014Theoretical and Experimental Studies"],"prefix":"10.3390","volume":"17","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2562-6996","authenticated-orcid":false,"given":"Pawe\u0142","family":"Nieroda","sequence":"first","affiliation":[{"name":"Department of Inorganic Chemistry, Faculty of Materials Science and Ceramics, AGH University of Krakow, al. A. Mickiewicza 30, 30-059 Krakow, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Juliusz","family":"Leszczy\u0144ski","sequence":"additional","affiliation":[{"name":"Department of Inorganic Chemistry, Faculty of Materials Science and Ceramics, AGH University of Krakow, al. A. Mickiewicza 30, 30-059 Krakow, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3388-3885","authenticated-orcid":false,"given":"Krzysztof","family":"Kapera","sequence":"additional","affiliation":[{"name":"Department of Silicate Chemistry and Macromolecular Compounds, Faculty of Materials Science and Ceramics, AGH University of Krakow, al. A. Mickiewicza 30, 30-059 Krakow, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6181-5981","authenticated-orcid":false,"given":"Pawe\u0142","family":"Rutkowski","sequence":"additional","affiliation":[{"name":"Department of Ceramics and Refractories, Faculty of Materials Science and Ceramics, AGH University of Krakow, al. A. Mickiewicza 30, 30-059 Krakow, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0799-4514","authenticated-orcid":false,"given":"Krzysztof","family":"Ziewiec","sequence":"additional","affiliation":[{"name":"Institute of Technology, University of the National Education Commission, Krakow, Podchor\u0105\u017cych 2, 30-084 Krakow, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aleksandra","family":"Szyma\u0144ska","sequence":"additional","affiliation":[{"name":"Department of Inorganic Chemistry, Faculty of Materials Science and Ceramics, AGH University of Krakow, al. A. Mickiewicza 30, 30-059 Krakow, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2576-9006","authenticated-orcid":false,"given":"Miros\u0142aw J.","family":"Kruszewski","sequence":"additional","affiliation":[{"name":"Division of Materials Design, Faculty of Materials Science and Engineering, Warsaw University of Technology, Wo\u0142oska 141, 02-507 Warsaw, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ma\u0142gorzata","family":"Rudnik","sequence":"additional","affiliation":[{"name":"Department of Inorganic Chemistry, Faculty of Materials Science and Ceramics, AGH University of Krakow, al. A. Mickiewicza 30, 30-059 Krakow, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4682-8300","authenticated-orcid":false,"given":"Andrzej","family":"Kole\u017cy\u0144ski","sequence":"additional","affiliation":[{"name":"Department of Silicate Chemistry and Macromolecular Compounds, Faculty of Materials Science and Ceramics, AGH University of Krakow, al. A. Mickiewicza 30, 30-059 Krakow, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2024,11,7]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1905703","DOI":"10.1002\/adma.201905703","article-title":"Promising and eco-friendly Cu2X-based thermoelectric materials: Progress and applications","volume":"32","author":"Liu","year":"2020","journal-title":"Adv. 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