{"id":"https://openalex.org/W7143479689","doi":"https://doi.org/10.1107/s2053273325099371","title":"Structure\u2013property interplay in Cu 6 Te 3\u2212 x S 1+ x : an analytical approach to thermoelectric optimization","display_name":"Structure\u2013property interplay in Cu 6 Te 3\u2212 x S 1+ x : an analytical approach to thermoelectric optimization","publication_year":2026,"publication_date":"2026-03-30","ids":{"openalex":"https://openalex.org/W7143479689","doi":"https://doi.org/10.1107/s2053273325099371"},"language":"en","primary_location":{"id":"doi:10.1107/s2053273325099371","doi":"https://doi.org/10.1107/s2053273325099371","is_oa":true,"landing_page_url":"https://doi.org/10.1107/s2053273325099371","pdf_url":"https://doi.org/10.1107/s2053273325099371","source":{"id":"https://openalex.org/S4393918093","display_name":"Acta Crystallographica Section A Foundations and Advances","issn_l":"2053-2733","issn":["2053-2733"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-1","medline","norway-1","poland-200","russia-white-list-2"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Acta Crystallographica Section A Foundations and Advances","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://doi.org/10.1107/s2053273325099371","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5130938339","display_name":"K. T. Wojciechowski","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I686019","display_name":"AGH University of Krakow","ror":"https://ror.org/00bas1c41","country_code":"PL","type":"education","lineage":["https://openalex.org/I686019"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"K. T. Wojciechowski","raw_affiliation_strings":["Thermoelectric Research Laboratory , Department of Inorganic Chemistry , Faculty of Materials Science and Ceramics , AGH University of Krakow , Mickiewicza Ave. 30 , 30-059 Krakow , Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Thermoelectric Research Laboratory , Department of Inorganic Chemistry , Faculty of Materials Science and Ceramics , AGH University of Krakow , Mickiewicza Ave. 30 , 30-059 Krakow , Poland","institution_ids":["https://openalex.org/I686019"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053616321","display_name":"Oleksandr Cherniushok","orcid":"https://orcid.org/0000-0002-2261-7795","observed_orcids":["https://orcid.org/0000-0002-2261-7795"]},"institutions":[{"id":"https://openalex.org/I686019","display_name":"AGH University of Krakow","ror":"https://ror.org/00bas1c41","country_code":"PL","type":"education","lineage":["https://openalex.org/I686019"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"O. Cherniushok","raw_affiliation_strings":["Thermoelectric Research Laboratory , Department of Inorganic Chemistry , Faculty of Materials Science and Ceramics , AGH University of Krakow , Mickiewicza Ave. 30 , 30-059 Krakow , Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Thermoelectric Research Laboratory , Department of Inorganic Chemistry , Faculty of Materials Science and Ceramics , AGH University of Krakow , Mickiewicza Ave. 30 , 30-059 Krakow , Poland","institution_ids":["https://openalex.org/I686019"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034121639","display_name":"Taras Parashchuk","orcid":"https://orcid.org/0000-0003-1780-0410","observed_orcids":["https://orcid.org/0000-0003-1780-0410"]},"institutions":[{"id":"https://openalex.org/I686019","display_name":"AGH University of Krakow","ror":"https://ror.org/00bas1c41","country_code":"PL","type":"education","lineage":["https://openalex.org/I686019"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"T. Parashchuk","raw_affiliation_strings":["Thermoelectric Research Laboratory , Department of Inorganic Chemistry , Faculty of Materials Science and Ceramics , AGH University of Krakow , Mickiewicza Ave. 30 , 30-059 Krakow , Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Thermoelectric Research Laboratory , Department of Inorganic Chemistry , Faculty of Materials Science and Ceramics , AGH University of Krakow , Mickiewicza Ave. 30 , 30-059 Krakow , Poland","institution_ids":["https://openalex.org/I686019"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5008533073","display_name":"Yaroslav TOKAYCHUK","orcid":"https://orcid.org/0000-0002-5711-6085","observed_orcids":["https://orcid.org/0000-0002-5711-6085"]},"institutions":[{"id":"https://openalex.org/I200280692","display_name":"Lviv University","ror":"https://ror.org/01s7y5e82","country_code":"UA","type":"education","lineage":["https://openalex.org/I200280692"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Y. Tokaychuk","raw_affiliation_strings":["Department of Inorganic Chemistry , Ivan Franko National University of Lviv , Kyryla i Mefodiya St. 6 , Lviv , 79005 , Ukraine"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Inorganic Chemistry , Ivan Franko National University of Lviv , Kyryla i Mefodiya St. 6 , Lviv , 79005 , Ukraine","institution_ids":["https://openalex.org/I200280692"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4430,"currency":"USD","value_usd":4430},"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.12505928,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"81","issue":"a1","first_page":"e63","last_page":"e63"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10590","display_name":"Chalcogenide Semiconductor Thin Films","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10939","display_name":"Crystal Structures and Properties","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/chalcogenide-thermoelectrics","display_name":"chalcogenide thermoelectrics","score":0.824999988079071},{"id":"https://openalex.org/keywords/structure-property-relationships","display_name":"structure-property relationships","score":0.890999972820282},{"id":"https://openalex.org/keywords/band-gap","display_name":"band gap","score":0.949999988079071},{"id":"https://openalex.org/keywords/seebeck-coefficient","display_name":"Seebeck coefficient","score":0.9980000257492065},{"id":"https://openalex.org/keywords/electrical-conductivity","display_name":"electrical conductivity","score":0.9929999709129333},{"id":"https://openalex.org/keywords/thermoelectric-optimization","display_name":"thermoelectric optimization","score":0.8859999775886536},{"id":"https://openalex.org/keywords/analytical-transport-model","display_name":"analytical transport model","score":0.6510000228881836}],"concepts":[{"id":"https://openalex.org/C63024428","wikidata":"https://www.wikidata.org/wiki/Q552456","display_name":"Thermoelectric effect","level":2,"score":0.7444000244140625},{"id":"https://openalex.org/C2778177714","wikidata":"https://www.wikidata.org/wiki/Q898920","display_name":"Chalcogenide","level":2,"score":0.6689000129699707},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.6456000208854675},{"id":"https://openalex.org/C24169881","wikidata":"https://www.wikidata.org/wiki/Q186608","display_name":"Phonon","level":2,"score":0.641700029373169},{"id":"https://openalex.org/C112625512","wikidata":"https://www.wikidata.org/wiki/Q1091448","display_name":"Seebeck coefficient","level":3,"score":0.5630000233650208},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5325999855995178},{"id":"https://openalex.org/C177293861","wikidata":"https://www.wikidata.org/wiki/Q78974","display_name":"Electronegativity","level":2,"score":0.4708999991416931},{"id":"https://openalex.org/C97346530","wikidata":"https://www.wikidata.org/wiki/Q487005","display_name":"Thermal conductivity","level":2,"score":0.4700999855995178},{"id":"https://openalex.org/C2779291638","wikidata":"https://www.wikidata.org/wiki/Q1455736","display_name":"Local symmetry","level":2,"score":0.46709999442100525},{"id":"https://openalex.org/C207365445","wikidata":"https://www.wikidata.org/wiki/Q15020929","display_name":"Thermoelectric materials","level":3,"score":0.4447000026702881},{"id":"https://openalex.org/C69990965","wikidata":"https://www.wikidata.org/wiki/Q65402698","display_name":"Electrical resistivity and conductivity","level":2,"score":0.42750000953674316},{"id":"https://openalex.org/C65053842","wikidata":"https://www.wikidata.org/wiki/Q7187311","display_name":"Phonon scattering","level":3,"score":0.4156999886035919},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.4122999906539917},{"id":"https://openalex.org/C191486275","wikidata":"https://www.wikidata.org/wiki/Q210028","display_name":"Scattering","level":2,"score":0.40950000286102295},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.3970000147819519},{"id":"https://openalex.org/C2781204021","wikidata":"https://www.wikidata.org/wiki/Q6497091","display_name":"Lattice (music)","level":2,"score":0.3917999863624573},{"id":"https://openalex.org/C125469278","wikidata":"https://www.wikidata.org/wiki/Q806380","display_name":"Electronic band structure","level":2,"score":0.3635999858379364},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.36149999499320984},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.26930001378059387},{"id":"https://openalex.org/C24123453","wikidata":"https://www.wikidata.org/wiki/Q900121","display_name":"Molecular vibration","level":3,"score":0.2667999863624573},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.26330000162124634},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.26080000400543213},{"id":"https://openalex.org/C114221277","wikidata":"https://www.wikidata.org/wiki/Q899743","display_name":"Vacancy defect","level":2,"score":0.25940001010894775},{"id":"https://openalex.org/C131540310","wikidata":"https://www.wikidata.org/wiki/Q907564","display_name":"Conductivity","level":2,"score":0.25679999589920044},{"id":"https://openalex.org/C2779886137","wikidata":"https://www.wikidata.org/wiki/Q21030012","display_name":"Symmetry (geometry)","level":2,"score":0.25200000405311584}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1107/s2053273325099371","doi":"https://doi.org/10.1107/s2053273325099371","is_oa":true,"landing_page_url":"https://doi.org/10.1107/s2053273325099371","pdf_url":"https://doi.org/10.1107/s2053273325099371","source":{"id":"https://openalex.org/S4393918093","display_name":"Acta Crystallographica Section A Foundations and Advances","issn_l":"2053-2733","issn":["2053-2733"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-1","medline","norway-1","poland-200","russia-white-list-2"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Acta Crystallographica Section A Foundations and Advances","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1107/s2053273325099371","doi":"https://doi.org/10.1107/s2053273325099371","is_oa":true,"landing_page_url":"https://doi.org/10.1107/s2053273325099371","pdf_url":"https://doi.org/10.1107/s2053273325099371","source":{"id":"https://openalex.org/S4393918093","display_name":"Acta Crystallographica Section A Foundations and Advances","issn_l":"2053-2733","issn":["2053-2733"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-1","medline","norway-1","poland-200","russia-white-list-2"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Acta Crystallographica Section A Foundations and Advances","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G8306413105","display_name":null,"funder_award_id":"BPN/NSF/2023/1/00010","funder_id":"https://openalex.org/F4320328499","funder_display_name":"Narodowa Agencja Wymiany Akademickiej"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320328499","display_name":"Narodowa Agencja Wymiany Akademickiej","ror":"https://ror.org/02jf81j23"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7143479689.pdf","grobid_xml":"https://content.openalex.org/works/W7143479689.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4408745512","https://openalex.org/W3212638658","https://openalex.org/W2948440009","https://openalex.org/W2959308436","https://openalex.org/W2011477014","https://openalex.org/W3187889827","https://openalex.org/W2115010826","https://openalex.org/W3111239370","https://openalex.org/W3000165513","https://openalex.org/W4324030989"],"abstract_inverted_index":{"In":[0],"this":[1],"contribution,":[2],"we":[3],"present":[4],"an":[5],"analytical":[6],"interpretation":[7],"of":[8,34,68],"structure-property":[9],"relationships":[10],"in":[11,26,43,84],"the":[12,44,69],"Cu\u2086Te\u2083\u208b\u2093S\u2081\u208a\u2093":[13],"chalcogenide":[14],"system,":[15],"based":[16],"on":[17],"experimental":[18],"transport":[19],"data":[20],"and":[21,78],"classical":[22],"physical":[23],"models.We":[24],"show":[25],"our":[27],"previous":[28],"work":[29],"[1]":[30],"that":[31],"progressive":[32],"substitution":[33],"Te":[35],"by":[36],"S":[37],"leads":[38],"to":[39,55,75,90],"a":[40,65,79],"substantial":[41],"increase":[42],"electronic":[45],"band":[46],"gap":[47],"(from":[48,72,87],"~0.07":[49],"eV":[50,57],"at":[51,58,93],"x":[52,59],"=":[53,60],"0":[54],"~0.2":[56],"0.7),":[61],"which":[62],"correlates":[63],"with":[64],"strong":[66],"enhancement":[67],"Seebeck":[70],"coefficient":[71],"~9":[73],"\u03bcV/K":[74],"~200":[76],"\u03bcV/K)":[77],"more":[80],"than":[81],"40-fold":[82],"decrease":[83],"electrical":[85],"conductivity":[86],"~3600":[88],"S/cm":[89,92],"~85":[91],"298":[94],"K).":[95]},"counts_by_year":[],"updated_date":"2026-10-28T10:33:24.094632","created_date":"2026-03-31T00:00:00"}
