{"id":"https://openalex.org/W4410142871","doi":"https://doi.org/10.1088/1402-4896/add5a8","title":"First principles study of thermal properties of Co-doped single-layer MoS2 at room temperature","display_name":"First principles study of thermal properties of Co-doped single-layer MoS2 at room temperature","publication_year":2025,"publication_date":"2025-05-07","ids":{"openalex":"https://openalex.org/W4410142871","doi":"https://doi.org/10.1088/1402-4896/add5a8"},"language":"en","primary_location":{"id":"doi:10.1088/1402-4896/add5a8","doi":"https://doi.org/10.1088/1402-4896/add5a8","is_oa":false,"landing_page_url":"https://doi.org/10.1088/1402-4896/add5a8","pdf_url":null,"source":{"id":"https://openalex.org/S59012888","display_name":"Physica Scripta","issn_l":"0031-8949","issn":["0031-8949","1402-4896"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-40","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physica Scripta","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5102007911","display_name":"Shahzad Ahmad","orcid":"https://orcid.org/0000-0001-7206-8811","observed_orcids":["https://orcid.org/0000-0001-7206-8811"]},"institutions":[{"id":"https://openalex.org/I1323252656","display_name":"Information Technology University","ror":"https://ror.org/00ngv8j44","country_code":"PK","type":"education","lineage":["https://openalex.org/I1323252656"]},{"id":"https://openalex.org/I172780181","display_name":"University of the Punjab","ror":"https://ror.org/011maz450","country_code":"PK","type":"education","lineage":["https://openalex.org/I172780181"]}],"countries":["PK"],"is_corresponding":true,"raw_author_name":"Shahzad Ahmad","raw_affiliation_strings":["Information Technology University of the Punjab, Lahore, Pakistan"],"raw_orcid":"https://orcid.org/0000-0001-7206-8811","affiliations":[{"raw_affiliation_string":"Information Technology University of the Punjab, Lahore, Pakistan","institution_ids":["https://openalex.org/I1323252656","https://openalex.org/I172780181"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5092271035","display_name":"Saira Khanam","orcid":"https://orcid.org/0009-0004-1008-0419","observed_orcids":["https://orcid.org/0009-0004-1008-0419"]},"institutions":[{"id":"https://openalex.org/I1323252656","display_name":"Information Technology University","ror":"https://ror.org/00ngv8j44","country_code":"PK","type":"education","lineage":["https://openalex.org/I1323252656"]},{"id":"https://openalex.org/I172780181","display_name":"University of the Punjab","ror":"https://ror.org/011maz450","country_code":"PK","type":"education","lineage":["https://openalex.org/I172780181"]}],"countries":["PK"],"is_corresponding":false,"raw_author_name":"Saira Khanam","raw_affiliation_strings":["Information Technology University of the Punjab, Lahore, Pakistan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Information Technology University of the Punjab, Lahore, Pakistan","institution_ids":["https://openalex.org/I1323252656","https://openalex.org/I172780181"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5003197571","display_name":"Usman Younis","orcid":"https://orcid.org/0000-0002-5538-2320","observed_orcids":["https://orcid.org/0000-0002-5538-2320"]},"institutions":[{"id":"https://openalex.org/I1323252656","display_name":"Information Technology University","ror":"https://ror.org/00ngv8j44","country_code":"PK","type":"education","lineage":["https://openalex.org/I1323252656"]},{"id":"https://openalex.org/I172780181","display_name":"University of the Punjab","ror":"https://ror.org/011maz450","country_code":"PK","type":"education","lineage":["https://openalex.org/I172780181"]}],"countries":["PK"],"is_corresponding":false,"raw_author_name":"Usman Younis","raw_affiliation_strings":["Information Technology University of the Punjab, Lahore, Pakistan"],"raw_orcid":"https://orcid.org/0000-0002-5538-2320","affiliations":[{"raw_affiliation_string":"Information Technology University of the Punjab, Lahore, Pakistan","institution_ids":["https://openalex.org/I1323252656","https://openalex.org/I172780181"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5102007911"],"corresponding_institution_ids":["https://openalex.org/I1323252656","https://openalex.org/I172780181"],"apc_list":{"value":2400,"currency":"USD","value_usd":2400},"apc_paid":null,"fwci":0.1775,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.25459905,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"100","issue":"6","first_page":"065939","last_page":"065939"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":0.76419997215271,"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":0.76419997215271,"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/T10275","display_name":"2D Materials and Applications","score":0.22769999504089355,"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/T11277","display_name":"Thermal properties of materials","score":0.004100000020116568,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/monolayer-mos2","display_name":"monolayer MoS2","score":0.9860000014305115},{"id":"https://openalex.org/keywords/thermoelectric-properties","display_name":"thermoelectric properties","score":0.7139999866485596},{"id":"https://openalex.org/keywords/co-doping","display_name":"co-doping","score":0.8679999709129333},{"id":"https://openalex.org/keywords/p-type-doping","display_name":"p-type doping","score":0.8880000114440918},{"id":"https://openalex.org/keywords/thermal-conductivity","display_name":"thermal conductivity","score":0.5440000295639038},{"id":"https://openalex.org/keywords/room-temperature","display_name":"room temperature","score":0.4009999930858612},{"id":"https://openalex.org/keywords/transition-metal-dichalcogenides","display_name":"transition metal dichalcogenides","score":0.7580000162124634}],"concepts":[{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.7240838408470154},{"id":"https://openalex.org/C57863236","wikidata":"https://www.wikidata.org/wiki/Q1130571","display_name":"Doping","level":2,"score":0.6791562438011169},{"id":"https://openalex.org/C204530211","wikidata":"https://www.wikidata.org/wiki/Q752823","display_name":"Thermal","level":2,"score":0.5978323817253113},{"id":"https://openalex.org/C2779227376","wikidata":"https://www.wikidata.org/wiki/Q6505497","display_name":"Layer (electronics)","level":2,"score":0.5351487398147583},{"id":"https://openalex.org/C61696701","wikidata":"https://www.wikidata.org/wiki/Q770766","display_name":"Engineering physics","level":1,"score":0.35036277770996094},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.24862629175186157},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.23399820923805237},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.18107616901397705},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.16087257862091064}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1088/1402-4896/add5a8","doi":"https://doi.org/10.1088/1402-4896/add5a8","is_oa":false,"landing_page_url":"https://doi.org/10.1088/1402-4896/add5a8","pdf_url":null,"source":{"id":"https://openalex.org/S59012888","display_name":"Physica Scripta","issn_l":"0031-8949","issn":["0031-8949","1402-4896"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-40","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physica Scripta","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Affordable and clean energy","score":0.75,"id":"https://metadata.un.org/sdg/7"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G2888519654","display_name":null,"funder_award_id":"DF-1009-31","funder_id":"https://openalex.org/F4320322799","funder_display_name":"Higher Education Commission, Pakistan"}],"funders":[{"id":"https://openalex.org/F4320322799","display_name":"Higher Education Commission, Pakistan","ror":"https://ror.org/038y3sz68"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":42,"referenced_works":["https://openalex.org/W1569961922","https://openalex.org/W2011899447","https://openalex.org/W2061056394","https://openalex.org/W2120145199","https://openalex.org/W2132041018","https://openalex.org/W2278970271","https://openalex.org/W2474791916","https://openalex.org/W2483136963","https://openalex.org/W2551139751","https://openalex.org/W2769995067","https://openalex.org/W2961786921","https://openalex.org/W2996962260","https://openalex.org/W3002699326","https://openalex.org/W3005864845","https://openalex.org/W3012841058","https://openalex.org/W3026347011","https://openalex.org/W3040907538","https://openalex.org/W3046822591","https://openalex.org/W3090307970","https://openalex.org/W3108004216","https://openalex.org/W3109514667","https://openalex.org/W3114774713","https://openalex.org/W3126204367","https://openalex.org/W3133683542","https://openalex.org/W3137328106","https://openalex.org/W3217306750","https://openalex.org/W4206955151","https://openalex.org/W4220867868","https://openalex.org/W4224293742","https://openalex.org/W4296005338","https://openalex.org/W4308462317","https://openalex.org/W4367397259","https://openalex.org/W4381683222","https://openalex.org/W4388229516","https://openalex.org/W4388657228","https://openalex.org/W4389037505","https://openalex.org/W4390977244","https://openalex.org/W4391956702","https://openalex.org/W4394935086","https://openalex.org/W4395026146","https://openalex.org/W4400192675","https://openalex.org/W6869534941"],"related_works":["https://openalex.org/W6991499813","https://openalex.org/W4409627626","https://openalex.org/W2746165978","https://openalex.org/W1994290202","https://openalex.org/W2980655846","https://openalex.org/W2887674022","https://openalex.org/W2262250297","https://openalex.org/W2911728702","https://openalex.org/W2317442888","https://openalex.org/W2119152638"],"abstract_inverted_index":{"Abstract":[0],"Group-VI":[1],"chalcogenides":[2],"are":[3],"an":[4,110],"attractive":[5],"choice":[6],"for":[7,21],"sustainable":[8],"energy":[9],"applications.":[10],"Among":[11],"them,":[12],"single-layer":[13,40,55,114],"MoS2":[14,41,56,115],"has":[15],"emerged":[16],"as":[17],"a":[18,39,74],"promising":[19],"candidate":[20],"thermoelectric":[22,36,80,105],"engineering.":[23],"Using":[24],"the":[25,35,58,79,88,95],"BoltzTrap":[26],"equation":[27],"in":[28,54,78,113],"conjunction":[29],"with":[30,64,102],"density":[31],"functional":[32],"theory":[33],"calculations,":[34],"response":[37,81],"of":[38,61,67,82],"through":[42,57],"co-doping":[43],"at":[44,120],"300":[45],"K":[46],"is":[47,85,91],"investigated.":[48],"By":[49],"achieving":[50],"stable":[51,65],"p-type":[52,100,117],"doping":[53,118],"simultaneous":[59],"substitution":[60],"Mo":[62],"atoms":[63],"combinations":[66],"Nb-Ta,":[68],"Nb-V,":[69],"and":[70],"Ta-V":[71],"co-dopant":[72],"pairs,":[73],"relatively":[75,103],"three-fold":[76],"improvement":[77],"doped":[83],"cases":[84],"predicted.":[86],"Additionally,":[87],"Nb-Ta-doped":[89],"case":[90],"particularly":[92],"interesting,":[93],"offering":[94],"option":[96],"to":[97,99],"switch":[98],"devices":[101],"maximum":[104],"performance.":[106],"Finally,":[107],"there":[108],"exists":[109],"intrinsic":[111],"robustness":[112],"against":[116],"impurities":[119],"room":[121],"temperature.":[122]},"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2025-05-07T00:00:00"}
