{"id":"https://openalex.org/W2336448003","doi":"https://doi.org/10.1039/c6ra05581h","title":"Oxygen vacancy formation and migration in double perovskite Sr 2 CrMoO 6 : a first-principles study","display_name":"Oxygen vacancy formation and migration in double perovskite Sr 2 CrMoO 6 : a first-principles study","publication_year":2016,"publication_date":"2016-01-01","ids":{"openalex":"https://openalex.org/W2336448003","doi":"https://doi.org/10.1039/c6ra05581h","mag":"2336448003"},"language":"en","primary_location":{"id":"doi:10.1039/c6ra05581h","doi":"https://doi.org/10.1039/c6ra05581h","is_oa":false,"landing_page_url":"https://doi.org/10.1039/c6ra05581h","pdf_url":null,"source":{"id":"https://openalex.org/S2481244646","display_name":"RSC Advances","issn_l":"2046-2069","issn":["2046-2069"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","ki-jl-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"RSC Advances","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/A5030409523","display_name":"Shuai Zhao","orcid":"https://orcid.org/0000-0001-8197-2255","observed_orcids":["https://orcid.org/0000-0001-8197-2255"]},"institutions":[{"id":"https://openalex.org/I207014233","display_name":"Kyushu Institute of Technology","ror":"https://ror.org/02278tr80","country_code":"JP","type":"education","lineage":["https://openalex.org/I207014233"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Shuai Zhao","raw_affiliation_strings":["Department of Life Science and Systems Engineering","Japan","Kitakyushu","Kyushu Institute of Technology","Department of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka 8080134, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Life Science and Systems Engineering","institution_ids":[]},{"raw_affiliation_string":"Japan","institution_ids":[]},{"raw_affiliation_string":"Kitakyushu","institution_ids":[]},{"raw_affiliation_string":"Kyushu Institute of Technology","institution_ids":["https://openalex.org/I207014233"]},{"raw_affiliation_string":"Department of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka 8080134, Japan","institution_ids":["https://openalex.org/I207014233"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089273344","display_name":"Liguo Gao","orcid":"https://orcid.org/0000-0002-5390-3663","observed_orcids":["https://orcid.org/0000-0002-5390-3663"]},"institutions":[{"id":"https://openalex.org/I27357992","display_name":"Dalian University of Technology","ror":"https://ror.org/023hj5876","country_code":"CN","type":"education","lineage":["https://openalex.org/I27357992"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Liguo Gao","raw_affiliation_strings":["China","Dalian University of Technology","Panjin 124221","School of Petroleum and Chemical Engineering","School of Petroleum and Chemical Engineering, Dalian University of Technology, Panjin 124221, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"China","institution_ids":[]},{"raw_affiliation_string":"Dalian University of Technology","institution_ids":["https://openalex.org/I27357992"]},{"raw_affiliation_string":"Panjin 124221","institution_ids":[]},{"raw_affiliation_string":"School of Petroleum and Chemical Engineering","institution_ids":[]},{"raw_affiliation_string":"School of Petroleum and Chemical Engineering, Dalian University of Technology, Panjin 124221, China","institution_ids":["https://openalex.org/I27357992"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101405625","display_name":"Chunfeng Lan","orcid":"https://orcid.org/0000-0002-7792-1313","observed_orcids":["https://orcid.org/0000-0002-7792-1313"]},"institutions":[{"id":"https://openalex.org/I207014233","display_name":"Kyushu Institute of Technology","ror":"https://ror.org/02278tr80","country_code":"JP","type":"education","lineage":["https://openalex.org/I207014233"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Chunfeng Lan","raw_affiliation_strings":["Department of Life Science and Systems Engineering","Japan","Kitakyushu","Kyushu Institute of Technology","Department of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka 8080134, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Life Science and Systems Engineering","institution_ids":[]},{"raw_affiliation_string":"Japan","institution_ids":[]},{"raw_affiliation_string":"Kitakyushu","institution_ids":[]},{"raw_affiliation_string":"Kyushu Institute of Technology","institution_ids":["https://openalex.org/I207014233"]},{"raw_affiliation_string":"Department of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka 8080134, Japan","institution_ids":["https://openalex.org/I207014233"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004527943","display_name":"Shyam Sudhir Pandey","orcid":"https://orcid.org/0000-0001-8102-1003","observed_orcids":["https://orcid.org/0000-0001-8102-1003"]},"institutions":[{"id":"https://openalex.org/I207014233","display_name":"Kyushu Institute of Technology","ror":"https://ror.org/02278tr80","country_code":"JP","type":"education","lineage":["https://openalex.org/I207014233"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Shyam S. Pandey","raw_affiliation_strings":["Department of Life Science and Systems Engineering","Japan","Kitakyushu","Kyushu Institute of Technology","Department of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka 8080134, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Life Science and Systems Engineering","institution_ids":[]},{"raw_affiliation_string":"Japan","institution_ids":[]},{"raw_affiliation_string":"Kitakyushu","institution_ids":[]},{"raw_affiliation_string":"Kyushu Institute of Technology","institution_ids":["https://openalex.org/I207014233"]},{"raw_affiliation_string":"Department of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka 8080134, Japan","institution_ids":["https://openalex.org/I207014233"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111620574","display_name":"Shuzi Hayase","orcid":"https://orcid.org/0000-0001-8192-5336","observed_orcids":["https://orcid.org/0000-0001-8192-5336","https://orcid.org/0000-0002-0756-4808"]},"institutions":[{"id":"https://openalex.org/I207014233","display_name":"Kyushu Institute of Technology","ror":"https://ror.org/02278tr80","country_code":"JP","type":"education","lineage":["https://openalex.org/I207014233"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Shuzi Hayase","raw_affiliation_strings":["Department of Life Science and Systems Engineering","Japan","Kitakyushu","Kyushu Institute of Technology","Department of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka 8080134, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Life Science and Systems Engineering","institution_ids":[]},{"raw_affiliation_string":"Japan","institution_ids":[]},{"raw_affiliation_string":"Kitakyushu","institution_ids":[]},{"raw_affiliation_string":"Kyushu Institute of Technology","institution_ids":["https://openalex.org/I207014233"]},{"raw_affiliation_string":"Department of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka 8080134, Japan","institution_ids":["https://openalex.org/I207014233"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5020781164","display_name":"Tingli Ma","orcid":"https://orcid.org/0000-0002-3310-459X","observed_orcids":["https://orcid.org/0000-0002-3310-459X"]},"institutions":[{"id":"https://openalex.org/I207014233","display_name":"Kyushu Institute of Technology","ror":"https://ror.org/02278tr80","country_code":"JP","type":"education","lineage":["https://openalex.org/I207014233"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Tingli Ma","raw_affiliation_strings":["Department of Life Science and Systems Engineering","Japan","Kitakyushu","Kyushu Institute of Technology","Department of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka 8080134, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Life Science and Systems Engineering","institution_ids":[]},{"raw_affiliation_string":"Japan","institution_ids":[]},{"raw_affiliation_string":"Kitakyushu","institution_ids":[]},{"raw_affiliation_string":"Kyushu Institute of Technology","institution_ids":["https://openalex.org/I207014233"]},{"raw_affiliation_string":"Department of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka 8080134, Japan","institution_ids":["https://openalex.org/I207014233"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5020781164"],"corresponding_institution_ids":["https://openalex.org/I207014233"],"apc_list":{"value":850,"currency":"GBP","value_usd":1042},"apc_paid":null,"fwci":0.4895,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.55583654,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":97},"biblio":{"volume":"6","issue":"49","first_page":"43034","last_page":"43040"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10311","display_name":"Advancements in Solid Oxide Fuel Cells","score":0.9526000022888184,"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/T10311","display_name":"Advancements in Solid Oxide Fuel Cells","score":0.9526000022888184,"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/T10607","display_name":"Magnetic and transport properties of perovskites and related materials","score":0.03060000017285347,"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"}},{"id":"https://openalex.org/T12588","display_name":"Electronic and Structural Properties of Oxides","score":0.002899999963119626,"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/oxygen-vacancies","display_name":"oxygen vacancies","score":0.75},{"id":"https://openalex.org/keywords/vacancy-formation-energy","display_name":"vacancy formation energy","score":0.8460000157356262},{"id":"https://openalex.org/keywords/vacancy-migration","display_name":"vacancy migration","score":0.9860000014305115},{"id":"https://openalex.org/keywords/double-perovskite","display_name":"double perovskite","score":0.9309999942779541},{"id":"https://openalex.org/keywords/b-site-cations","display_name":"B-site cations","score":0.6290000081062317},{"id":"https://openalex.org/keywords/chromium","display_name":"chromium","score":0.7789999842643738},{"id":"https://openalex.org/keywords/molybdenum","display_name":"molybdenum","score":0.9950000047683716},{"id":"https://openalex.org/keywords/oxygen-ion-transport","display_name":"oxygen ion transport","score":0.3580000102519989},{"id":"https://openalex.org/keywords/dft-u","display_name":"DFT+U","score":0.7490000128746033}],"concepts":[{"id":"https://openalex.org/C155011858","wikidata":"https://www.wikidata.org/wiki/Q3036449","display_name":"Perovskite (structure)","level":2,"score":0.700381338596344},{"id":"https://openalex.org/C540031477","wikidata":"https://www.wikidata.org/wiki/Q629","display_name":"Oxygen","level":2,"score":0.6011886596679688},{"id":"https://openalex.org/C114221277","wikidata":"https://www.wikidata.org/wiki/Q899743","display_name":"Vacancy defect","level":2,"score":0.584816575050354},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4885135889053345},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.45656925439834595},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.3380935788154602},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.30811846256256104},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.28733837604522705},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.24592572450637817},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0651598870754242}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1039/c6ra05581h","doi":"https://doi.org/10.1039/c6ra05581h","is_oa":false,"landing_page_url":"https://doi.org/10.1039/c6ra05581h","pdf_url":null,"source":{"id":"https://openalex.org/S2481244646","display_name":"RSC Advances","issn_l":"2046-2069","issn":["2046-2069"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","ki-jl-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"RSC Advances","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G5724199698","display_name":"Investigation to determine the factor of long-term stability and development of Pb-free materials for application","funder_award_id":"15K05597","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"}],"funders":[{"id":"https://openalex.org/F4320334764","display_name":"Japan Society for the Promotion of Science","ror":"https://ror.org/00hhkn466"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":48,"referenced_works":["https://openalex.org/W1916533619","https://openalex.org/W1937823893","https://openalex.org/W1966001713","https://openalex.org/W1973894323","https://openalex.org/W1974961251","https://openalex.org/W1975219839","https://openalex.org/W1977076436","https://openalex.org/W1978636997","https://openalex.org/W1979571637","https://openalex.org/W1979710130","https://openalex.org/W1981368803","https://openalex.org/W1981945663","https://openalex.org/W1983892952","https://openalex.org/W1985605829","https://openalex.org/W1986731219","https://openalex.org/W1992682678","https://openalex.org/W1993399250","https://openalex.org/W1995438257","https://openalex.org/W2007487629","https://openalex.org/W2012986644","https://openalex.org/W2020638114","https://openalex.org/W2034093414","https://openalex.org/W2036374960","https://openalex.org/W2040942771","https://openalex.org/W2043691039","https://openalex.org/W2048980032","https://openalex.org/W2067324174","https://openalex.org/W2077577514","https://openalex.org/W2078086786","https://openalex.org/W2089363571","https://openalex.org/W2102006193","https://openalex.org/W2120145199","https://openalex.org/W2127252448","https://openalex.org/W2138008895","https://openalex.org/W2144386500","https://openalex.org/W2150687058","https://openalex.org/W2166154713","https://openalex.org/W2169934955","https://openalex.org/W2300718608","https://openalex.org/W2312932364","https://openalex.org/W2314634692","https://openalex.org/W2317034321","https://openalex.org/W2327604462","https://openalex.org/W2330579004","https://openalex.org/W2335365745","https://openalex.org/W2949428978","https://openalex.org/W3021534906","https://openalex.org/W3106042047"],"related_works":["https://openalex.org/W2300718608","https://openalex.org/W4206871757","https://openalex.org/W1425021119","https://openalex.org/W2502819063","https://openalex.org/W2374269100","https://openalex.org/W2735202574","https://openalex.org/W2047344890","https://openalex.org/W193949564","https://openalex.org/W2312945868","https://openalex.org/W7133527145"],"abstract_inverted_index":{"These":[0],"calculations":[1],"provided":[2],"theoretical":[3],"insight":[4],"into":[5],"the":[6,9,15,22,30],"effect":[7],"of":[8],"B-site":[10],"Cr":[11],"and":[12,19],"Mo":[13],"on":[14],"oxygen":[16],"vacancy":[17],"formation":[18],"migration":[20],"in":[21],"double":[23],"perovskite":[24],"Sr":[25],"2":[26],"CrMoO":[27],"6":[28],"using":[29],"DFT+":[31],"U":[32],"method.":[33]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":2}],"updated_date":"2026-11-13T13:42:25.865203","created_date":"2016-06-24T00:00:00"}