{"id":"https://openalex.org/W3215972764","doi":"https://doi.org/10.1021/acs.jpcc.1c09069","title":"Rationalizing the Photoluminescence of Bi3+ and Sb3+ in Double Perovskite Halide Crystals","display_name":"Rationalizing the Photoluminescence of Bi3+ and Sb3+ in Double Perovskite Halide Crystals","publication_year":2021,"publication_date":"2021-11-22","ids":{"openalex":"https://openalex.org/W3215972764","doi":"https://doi.org/10.1021/acs.jpcc.1c09069","mag":"3215972764"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jpcc.1c09069","doi":"https://doi.org/10.1021/acs.jpcc.1c09069","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jpcc.1c09069","pdf_url":null,"source":{"id":"https://openalex.org/S95739953","display_name":"The Journal of Physical Chemistry C","issn_l":"1932-7447","issn":["1932-7447","1932-7455"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-2","ki-jl-1","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry C","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W3215972764"],"child_works_count":0,"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/A5100674099","display_name":"Mingzhe Liu","orcid":"https://orcid.org/0000-0003-3748-6107","observed_orcids":["https://orcid.org/0000-0003-3748-6107"]},"institutions":[{"id":"https://openalex.org/I126520041","display_name":"University of Science and Technology of China","ror":"https://ror.org/04c4dkn09","country_code":"CN","type":"education","lineage":["https://openalex.org/I126520041","https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Mingzhe Liu","raw_affiliation_strings":["CAS Center for Excellence in Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei 230026, China","CAS Key Laboratory of Microscale Magnetic Resonance, University of Science and Technology of China, Hefei 230026, China","Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei 230026, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CAS Center for Excellence in Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei 230026, China","institution_ids":["https://openalex.org/I126520041"]},{"raw_affiliation_string":"CAS Key Laboratory of Microscale Magnetic Resonance, University of Science and Technology of China, Hefei 230026, China","institution_ids":["https://openalex.org/I126520041"]},{"raw_affiliation_string":"Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei 230026, China","institution_ids":["https://openalex.org/I126520041"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005475361","display_name":"Chang\u2010Kui Duan","orcid":"https://orcid.org/0000-0003-1016-4976","observed_orcids":["https://orcid.org/0000-0003-1016-4976"]},"institutions":[{"id":"https://openalex.org/I126520041","display_name":"University of Science and Technology of China","ror":"https://ror.org/04c4dkn09","country_code":"CN","type":"education","lineage":["https://openalex.org/I126520041","https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Chang-Kui Duan","raw_affiliation_strings":["CAS Center for Excellence in Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei 230026, China","CAS Key Laboratory of Microscale Magnetic Resonance, University of Science and Technology of China, Hefei 230026, China","Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei 230026, China"],"raw_orcid":"https://orcid.org/0000-0003-1016-4976","affiliations":[{"raw_affiliation_string":"CAS Center for Excellence in Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei 230026, China","institution_ids":["https://openalex.org/I126520041"]},{"raw_affiliation_string":"CAS Key Laboratory of Microscale Magnetic Resonance, University of Science and Technology of China, Hefei 230026, China","institution_ids":["https://openalex.org/I126520041"]},{"raw_affiliation_string":"Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei 230026, China","institution_ids":["https://openalex.org/I126520041"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084853487","display_name":"Peter A. Tanner","orcid":"https://orcid.org/0000-0002-4681-6203","observed_orcids":["https://orcid.org/0000-0002-4681-6203"]},"institutions":[{"id":"https://openalex.org/I141568987","display_name":"Hong Kong Baptist University","ror":"https://ror.org/0145fw131","country_code":"HK","type":"education","lineage":["https://openalex.org/I141568987"]}],"countries":["HK"],"is_corresponding":true,"raw_author_name":"Peter A. Tanner","raw_affiliation_strings":["Department of Chemistry, Hong Kong Baptist University, 224 Waterloo Rd, Kowloon Tong, Hong Kong, China"],"raw_orcid":"https://orcid.org/0000-0002-4681-6203","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Hong Kong Baptist University, 224 Waterloo Rd, Kowloon Tong, Hong Kong, China","institution_ids":["https://openalex.org/I141568987"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069807123","display_name":"Chong\u2010Geng Ma","orcid":"https://orcid.org/0000-0001-8090-1738","observed_orcids":["https://orcid.org/0000-0001-8090-1738"]},"institutions":[{"id":"https://openalex.org/I10535382","display_name":"Chongqing University of Posts and Telecommunications","ror":"https://ror.org/03dgaqz26","country_code":"CN","type":"education","lineage":["https://openalex.org/I10535382"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chong-Geng Ma","raw_affiliation_strings":["School of Optoelectronic Engineering and CQUPT-BUL Innovation Institute, Chongqing University of Posts and Telecommunications, Chongqing 400065, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Optoelectronic Engineering and CQUPT-BUL Innovation Institute, Chongqing University of Posts and Telecommunications, Chongqing 400065, China","institution_ids":["https://openalex.org/I10535382"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5086965044","display_name":"Min Yin","orcid":"https://orcid.org/0000-0001-5478-2456","observed_orcids":["https://orcid.org/0000-0001-5478-2456"]},"institutions":[{"id":"https://openalex.org/I126520041","display_name":"University of Science and Technology of China","ror":"https://ror.org/04c4dkn09","country_code":"CN","type":"education","lineage":["https://openalex.org/I126520041","https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Min Yin","raw_affiliation_strings":["Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei 230026, China"],"raw_orcid":"https://orcid.org/0000-0001-5478-2456","affiliations":[{"raw_affiliation_string":"Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China, Hefei 230026, China","institution_ids":["https://openalex.org/I126520041"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5005475361","https://openalex.org/A5084853487"],"corresponding_institution_ids":["https://openalex.org/I126520041","https://openalex.org/I141568987"],"apc_list":{"value":5000,"currency":"USD","value_usd":5000},"apc_paid":null,"fwci":1.1013,"has_fulltext":false,"cited_by_count":26,"citation_normalized_percentile":{"value":0.73803839,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":99},"biblio":{"volume":"125","issue":"48","first_page":"26670","last_page":"26678"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10247","display_name":"Perovskite Materials and Applications","score":0.9990000128746033,"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"}},"topics":[{"id":"https://openalex.org/T10247","display_name":"Perovskite Materials and Applications","score":0.9990000128746033,"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/T10097","display_name":"Luminescence Properties of Advanced Materials","score":0.00019999999494757503,"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":0.0,"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/photoluminescence","display_name":"photoluminescence","score":0.781000018119812},{"id":"https://openalex.org/keywords/bi3-doping","display_name":"Bi3+ doping","score":0.8640000224113464},{"id":"https://openalex.org/keywords/sb3-doping","display_name":"Sb3+ doping","score":1.0},{"id":"https://openalex.org/keywords/halide-double-perovskites","display_name":"halide double perovskites","score":0.9629999995231628},{"id":"https://openalex.org/keywords/emission-energy","display_name":"emission energy","score":0.46299999952316284},{"id":"https://openalex.org/keywords/anion-vacancies","display_name":"anion vacancies","score":0.7829999923706055},{"id":"https://openalex.org/keywords/defect-states","display_name":"defect states","score":0.7440000176429749},{"id":"https://openalex.org/keywords/excited-state-dynamics","display_name":"excited-state dynamics","score":0.8610000014305115},{"id":"https://openalex.org/keywords/rock-salt-structure","display_name":"rock salt structure","score":0.8899999856948853}],"concepts":[{"id":"https://openalex.org/C85080765","wikidata":"https://www.wikidata.org/wiki/Q614893","display_name":"Photoluminescence","level":2,"score":0.8732584714889526},{"id":"https://openalex.org/C171560689","wikidata":"https://www.wikidata.org/wiki/Q193086","display_name":"Halide","level":2,"score":0.7139424085617065},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.6089404225349426},{"id":"https://openalex.org/C114221277","wikidata":"https://www.wikidata.org/wiki/Q899743","display_name":"Vacancy defect","level":2,"score":0.5776477456092834},{"id":"https://openalex.org/C2776029896","wikidata":"https://www.wikidata.org/wiki/Q3935810","display_name":"Relaxation (psychology)","level":2,"score":0.57441645860672},{"id":"https://openalex.org/C155011858","wikidata":"https://www.wikidata.org/wiki/Q3036449","display_name":"Perovskite (structure)","level":2,"score":0.556975245475769},{"id":"https://openalex.org/C148869448","wikidata":"https://www.wikidata.org/wiki/Q184240","display_name":"Luminescence","level":2,"score":0.5029463171958923},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5010015964508057},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.4915548264980316},{"id":"https://openalex.org/C57863236","wikidata":"https://www.wikidata.org/wiki/Q1130571","display_name":"Doping","level":2,"score":0.45118364691734314},{"id":"https://openalex.org/C46000676","wikidata":"https://www.wikidata.org/wiki/Q804644","display_name":"Lone pair","level":3,"score":0.431810200214386},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4228704869747162},{"id":"https://openalex.org/C2778695967","wikidata":"https://www.wikidata.org/wiki/Q44791900","display_name":"Chloride","level":2,"score":0.4154360592365265},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.3236347436904907},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3091650605201721},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.30528295040130615},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.24886423349380493},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.17130231857299805},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.11603724956512451},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.09955498576164246},{"id":"https://openalex.org/C15744967","wikidata":"https://www.wikidata.org/wiki/Q9418","display_name":"Psychology","level":0,"score":0.0},{"id":"https://openalex.org/C77805123","wikidata":"https://www.wikidata.org/wiki/Q161272","display_name":"Social psychology","level":1,"score":0.0},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/acs.jpcc.1c09069","doi":"https://doi.org/10.1021/acs.jpcc.1c09069","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jpcc.1c09069","pdf_url":null,"source":{"id":"https://openalex.org/S95739953","display_name":"The Journal of Physical Chemistry C","issn_l":"1932-7447","issn":["1932-7447","1932-7455"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-2","ki-jl-1","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry C","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G6855576804","display_name":null,"funder_award_id":"11974338","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6869344743","display_name":"\u7d2b\u5149\u53d1\u5c04\u65e0\u673a\u9499\u949b\u77ff\u7eb3\u7c73\u6676\u7684\u63ba\u6742\u6539\u6027\u3001\u7ed3\u6784\u3001\u53d1\u5149\u589e\u5f3a\u673a\u7406\u53ca\u5668\u4ef6\u5e94\u7528\u7814\u7a76","funder_award_id":"11874275","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8457038825","display_name":"\u5168\u56fa\u6001\u91cd\u9891\u9ad8\u529f\u7387\u8d85\u5feb\u6fc0\u5149\u6676\u4f53\u7684\u57fa\u7840\u7814\u7a76","funder_award_id":"61635012","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":44,"referenced_works":["https://openalex.org/W1967332016","https://openalex.org/W1967632236","https://openalex.org/W1970127494","https://openalex.org/W1974415142","https://openalex.org/W1974814281","https://openalex.org/W1981368803","https://openalex.org/W2004513251","https://openalex.org/W2006304022","https://openalex.org/W2019544854","https://openalex.org/W2019798858","https://openalex.org/W2050764698","https://openalex.org/W2051741502","https://openalex.org/W2071076720","https://openalex.org/W2079105963","https://openalex.org/W2087698390","https://openalex.org/W2190169384","https://openalex.org/W2316686709","https://openalex.org/W2610745311","https://openalex.org/W2626395824","https://openalex.org/W2712977526","https://openalex.org/W2767197417","https://openalex.org/W2794107391","https://openalex.org/W2862024618","https://openalex.org/W2899608158","https://openalex.org/W2938664616","https://openalex.org/W2975606989","https://openalex.org/W2997869000","https://openalex.org/W3007227055","https://openalex.org/W3008221573","https://openalex.org/W3016731582","https://openalex.org/W3034923318","https://openalex.org/W3044096571","https://openalex.org/W3080711540","https://openalex.org/W3112119037","https://openalex.org/W3128646835","https://openalex.org/W3137081964","https://openalex.org/W3163353793","https://openalex.org/W3172464300","https://openalex.org/W3174317735","https://openalex.org/W3174541227","https://openalex.org/W3180883317","https://openalex.org/W3183500184","https://openalex.org/W3197840312","https://openalex.org/W6604674964"],"related_works":["https://openalex.org/W3196826808","https://openalex.org/W3185622619","https://openalex.org/W2740542078","https://openalex.org/W7083625725","https://openalex.org/W4409805530","https://openalex.org/W4391486265","https://openalex.org/W4395666931","https://openalex.org/W3197840312","https://openalex.org/W3204194820","https://openalex.org/W4406669127"],"abstract_inverted_index":{"Bi-":[0,50],"and":[1,16,29,51,59,67,75,97,104,106,112,148,161,177,188,195,202],"Sb-doped":[2,52],"halide":[3],"perovskites":[4,183],"have":[5,32],"been":[6,34],"widely":[7],"reported":[8],"for":[9],"their":[10],"high":[11],"absorption":[12],"coefficients,":[13],"bright":[14],"emission,":[15],"impressive":[17],"photoluminescence":[18,175],"quantum":[19],"yields.":[20],"However,":[21],"several":[22],"different":[23,92],"transition":[24],"processes":[25,176],"can":[26],"be":[27],"involved":[28],"the":[30,76,83,88,107,145,150,174,204,207],"mechanisms":[31,208],"not":[33],"well":[35,71,113,192],"understood.":[36],"We":[37],"present":[38],"first-principles":[39],"calculations":[40],"with":[41,82,102,115,215],"hybrid":[42],"density":[43],"functionals":[44],"on":[45],"a":[46,79,138,169,216],"variety":[47],"of":[48,94,180,206,209],"representative":[49],"chloride":[53,181],"systems":[54],"to":[55],"resolve":[56],"these":[57],"problems":[58],"rationalize":[60],"behaviors.":[61],"The":[62,90,165],"results":[63,166],"show":[64],"that":[65],"excitation":[66],"emission":[68,108,134,155],"energies":[69,109,156],"are":[70,110],"predicted":[72,111],"in":[73,87,100,157,172],"general,":[74],"latter":[77],"shows":[78],"good":[80],"correlation":[81],"metal\u2013Cl":[84],"bond":[85],"length":[86],"host.":[89],"remarkably":[91],"manifestations":[93],"Sb":[95,162,189],"3+":[96,99,160,163,187],"Bi":[98,159,186],"hosts":[101],"In":[103,136],"Ag":[105],"interpreted":[114],"calculated":[116],"relaxation":[117],"processes.":[118],"Negatively":[119],"charged":[120,140],"neighboring":[121,141],"cation-vacancy":[122],"compensators":[123],"greatly":[124],"uplift":[125],"defect":[126,146],"levels":[127,147],"but":[128],"reduce":[129],"sp":[130,151],"\u2192":[131,152],"s":[132,153],"2":[133,154,197,219],"energies.":[135],"contrast,":[137],"positively":[139],"anion":[142],"vacancy":[143],"downshifts":[144],"reduces":[149],"both":[158],".":[164],"obtained":[167],"provide":[168],"significant":[170],"insight":[171],"understanding":[173],"excited-state":[178],"dynamics":[179],"double":[182],"activated":[184],"by":[185],"3+,":[190],"as":[191,193],"rock-salt":[194],"K":[196],"PtCl":[198],"6":[199],"-type":[200],"systems,":[201],"inspire":[203],"revelation":[205],"other":[210],"luminescent":[211],"materials":[212],"containing":[213],"ions":[214],"lone":[217],"ns":[218],"pair.":[220]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":9},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":7},{"year":2021,"cited_by_count":1}],"updated_date":"2026-10-14T16:39:01.820549","created_date":"2021-12-06T00:00:00"}
