{"id":"https://openalex.org/W7212019727","doi":"https://doi.org/10.1002/ange.6439085","title":"Machine Learning\u2010Guided Elucidation of Spacer\u2010Dependent Crystallization Pathways in Quasi\u20102D Perovskites: Linear vs. Branched Spacer Cations","display_name":"Machine Learning\u2010Guided Elucidation of Spacer\u2010Dependent Crystallization Pathways in Quasi\u20102D Perovskites: Linear vs. Branched Spacer Cations","publication_year":2026,"publication_date":"2026-09-09","ids":{"openalex":"https://openalex.org/W7212019727","doi":"https://doi.org/10.1002/ange.6439085"},"language":"en","primary_location":{"id":"doi:10.1002/ange.6439085","doi":"https://doi.org/10.1002/ange.6439085","is_oa":false,"landing_page_url":"https://doi.org/10.1002/ange.6439085","pdf_url":null,"source":{"id":"https://openalex.org/S4210200754","display_name":"Angewandte Chemie","issn_l":"0044-8249","issn":["0044-8249","0932-2140","1521-3757"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","norway-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Angewandte Chemie","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W7212019727"],"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/A5069718286","display_name":"Minwook Jeon","orcid":"https://orcid.org/0000-0003-3216-7529","observed_orcids":["https://orcid.org/0000-0003-3216-7529"]},"institutions":[{"id":"https://openalex.org/I4575257","display_name":"Hanyang University","ror":"https://ror.org/046865y68","country_code":"KR","type":"education","lineage":["https://openalex.org/I4575257"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Minwook Jeon","raw_affiliation_strings":["Department of Applied Chemistry, Center for Bionano Intelligence Education and Research Hanyang University ERICA  Ansan Gyeonggi\u2010do Republic of Korea"],"raw_orcid":"https://orcid.org/0000-0003-3216-7529","affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Center for Bionano Intelligence Education and Research Hanyang University ERICA  Ansan Gyeonggi\u2010do Republic of Korea","institution_ids":["https://openalex.org/I4575257"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015938371","display_name":"Jimin Seo","orcid":"https://orcid.org/0000-0002-1317-4435","observed_orcids":["https://orcid.org/0000-0002-1317-4435"]},"institutions":[{"id":"https://openalex.org/I165677929","display_name":"Sungshin Women's University","ror":"https://ror.org/0500xzf72","country_code":"KR","type":"education","lineage":["https://openalex.org/I165677929"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Jimin Seo","raw_affiliation_strings":["School of Chemistry and Energy Sungshin Women's University  Seoul Republic of Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemistry and Energy Sungshin Women's University  Seoul Republic of Korea","institution_ids":["https://openalex.org/I165677929"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081106916","display_name":"Dongyup Shin","orcid":"https://orcid.org/0000-0002-7438-2238","observed_orcids":["https://orcid.org/0000-0002-7438-2238"]},"institutions":[{"id":"https://openalex.org/I165507594","display_name":"Kangwon National University","ror":"https://ror.org/01mh5ph17","country_code":"KR","type":"education","lineage":["https://openalex.org/I165507594"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Dongyup Shin","raw_affiliation_strings":["Department of Chemistry Kangwon National University  Chuncheon Gangwon Republic of Korea"],"raw_orcid":"https://orcid.org/0000-0002-7438-2238","affiliations":[{"raw_affiliation_string":"Department of Chemistry Kangwon National University  Chuncheon Gangwon Republic of Korea","institution_ids":["https://openalex.org/I165507594"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028655577","display_name":"Jin Ho Bang","orcid":"https://orcid.org/0000-0002-6717-3454","observed_orcids":["https://orcid.org/0000-0002-6717-3454"]},"institutions":[{"id":"https://openalex.org/I4575257","display_name":"Hanyang University","ror":"https://ror.org/046865y68","country_code":"KR","type":"education","lineage":["https://openalex.org/I4575257"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Jin Ho Bang","raw_affiliation_strings":["Department of Applied Chemistry, Center for Bionano Intelligence Education and Research Hanyang University ERICA  Ansan Gyeonggi\u2010do Republic of Korea","Department of Energy and Bio Sciences Hanyang University ERICA  Ansan Gyeonggi\u2010do Republic of Korea"],"raw_orcid":"https://orcid.org/0000-0002-6717-3454","affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Center for Bionano Intelligence Education and Research Hanyang University ERICA  Ansan Gyeonggi\u2010do Republic of Korea","institution_ids":["https://openalex.org/I4575257"]},{"raw_affiliation_string":"Department of Energy and Bio Sciences Hanyang University ERICA  Ansan Gyeonggi\u2010do Republic of Korea","institution_ids":["https://openalex.org/I4575257"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5030026591","display_name":"Junsang Cho","orcid":"https://orcid.org/0000-0003-4211-4113","observed_orcids":["https://orcid.org/0000-0003-4211-4113","https://orcid.org/0009-0007-6034-2087"]},"institutions":[{"id":"https://openalex.org/I165677929","display_name":"Sungshin Women's University","ror":"https://ror.org/0500xzf72","country_code":"KR","type":"education","lineage":["https://openalex.org/I165677929"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Junsang Cho","raw_affiliation_strings":["Department of Chemistry Sungshin Women's University  Seoul Republic of Korea","School of Chemistry and Energy Sungshin Women's University  Seoul Republic of Korea"],"raw_orcid":"https://orcid.org/0000-0003-4211-4113","affiliations":[{"raw_affiliation_string":"Department of Chemistry Sungshin Women's University  Seoul Republic of Korea","institution_ids":["https://openalex.org/I165677929"]},{"raw_affiliation_string":"School of Chemistry and Energy Sungshin Women's University  Seoul Republic of Korea","institution_ids":["https://openalex.org/I165677929"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":5790,"currency":"USD","value_usd":5790},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"138","issue":"44","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.7128999829292297,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.7128999829292297,"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/T10247","display_name":"Perovskite Materials and Applications","score":0.2831999957561493,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/quasi-2d-perovskites","display_name":"quasi-2D perovskites","score":0.8619999885559082},{"id":"https://openalex.org/keywords/halide-perovskites","display_name":"halide perovskites","score":0.968999981880188},{"id":"https://openalex.org/keywords/spacer-cations","display_name":"spacer cations","score":0.968999981880188},{"id":"https://openalex.org/keywords/crystallization-pathways","display_name":"crystallization pathways","score":0.8650000095367432},{"id":"https://openalex.org/keywords/layer-thickness","display_name":"layer thickness","score":0.5910000205039978},{"id":"https://openalex.org/keywords/molecular-descriptors","display_name":"molecular descriptors","score":0.890999972820282},{"id":"https://openalex.org/keywords/melting-point","display_name":"melting point","score":0.7680000066757202},{"id":"https://openalex.org/keywords/conformational-flexibility","display_name":"conformational flexibility","score":0.9980000257492065},{"id":"https://openalex.org/keywords/optoelectronic-properties","display_name":"optoelectronic properties","score":0.7900000214576721}],"concepts":[{"id":"https://openalex.org/C203036418","wikidata":"https://www.wikidata.org/wiki/Q284256","display_name":"Crystallization","level":2,"score":0.7702000141143799},{"id":"https://openalex.org/C171560689","wikidata":"https://www.wikidata.org/wiki/Q193086","display_name":"Halide","level":2,"score":0.7551000118255615},{"id":"https://openalex.org/C3288061","wikidata":"https://www.wikidata.org/wiki/Q161064","display_name":"Enthalpy","level":2,"score":0.6004999876022339},{"id":"https://openalex.org/C155011858","wikidata":"https://www.wikidata.org/wiki/Q3036449","display_name":"Perovskite (structure)","level":2,"score":0.5863000154495239},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.5184000134468079},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.49939998984336853},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.46219998598098755},{"id":"https://openalex.org/C13530604","wikidata":"https://www.wikidata.org/wiki/Q15318","display_name":"Melting point","level":2,"score":0.44179999828338623},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.4374000132083893},{"id":"https://openalex.org/C179303850","wikidata":"https://www.wikidata.org/wiki/Q4300362","display_name":"Molecular recognition","level":3,"score":0.42739999294281006},{"id":"https://openalex.org/C2780283098","wikidata":"https://www.wikidata.org/wiki/Q4688960","display_name":"Affinities","level":2,"score":0.38260000944137573},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.3698999881744385},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.36649999022483826},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.36160001158714294},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.334199994802475},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.33059999346733093},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.3294000029563904},{"id":"https://openalex.org/C139425391","wikidata":"https://www.wikidata.org/wiki/Q2726733","display_name":"Molecular machine","level":2,"score":0.3165999948978424},{"id":"https://openalex.org/C135889238","wikidata":"https://www.wikidata.org/wiki/Q46276","display_name":"Kinetic energy","level":2,"score":0.3077999949455261},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.3052999973297119},{"id":"https://openalex.org/C2781370014","wikidata":"https://www.wikidata.org/wiki/Q6822741","display_name":"Metal halides","level":3,"score":0.2985999882221222},{"id":"https://openalex.org/C53105671","wikidata":"https://www.wikidata.org/wiki/Q14777816","display_name":"Rational design","level":2,"score":0.29339998960494995},{"id":"https://openalex.org/C2779227376","wikidata":"https://www.wikidata.org/wiki/Q6505497","display_name":"Layer (electronics)","level":2,"score":0.28780001401901245},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.25699999928474426},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.2565000057220459}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/ange.6439085","doi":"https://doi.org/10.1002/ange.6439085","is_oa":false,"landing_page_url":"https://doi.org/10.1002/ange.6439085","pdf_url":null,"source":{"id":"https://openalex.org/S4210200754","display_name":"Angewandte Chemie","issn_l":"0044-8249","issn":["0044-8249","0932-2140","1521-3757"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","norway-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Angewandte Chemie","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":61,"referenced_works":["https://openalex.org/W1973885070","https://openalex.org/W1998358855","https://openalex.org/W2124686733","https://openalex.org/W2270683730","https://openalex.org/W2285460824","https://openalex.org/W2518768104","https://openalex.org/W2524488697","https://openalex.org/W2605612938","https://openalex.org/W2611277466","https://openalex.org/W2744149120","https://openalex.org/W2763952698","https://openalex.org/W2772083200","https://openalex.org/W2800969066","https://openalex.org/W2885758994","https://openalex.org/W2888115472","https://openalex.org/W2889015665","https://openalex.org/W2936156605","https://openalex.org/W2936376197","https://openalex.org/W2944597969","https://openalex.org/W2958853574","https://openalex.org/W2995306664","https://openalex.org/W3011249215","https://openalex.org/W3018626931","https://openalex.org/W3035207414","https://openalex.org/W3064646198","https://openalex.org/W3070507757","https://openalex.org/W3131699578","https://openalex.org/W3156248107","https://openalex.org/W3203083809","https://openalex.org/W3215178970","https://openalex.org/W4284878722","https://openalex.org/W4288037021","https://openalex.org/W4294168967","https://openalex.org/W4305072340","https://openalex.org/W4307897042","https://openalex.org/W4317888697","https://openalex.org/W4320915253","https://openalex.org/W4360865321","https://openalex.org/W4380263693","https://openalex.org/W4380610650","https://openalex.org/W4385351666","https://openalex.org/W4385654585","https://openalex.org/W4386189758","https://openalex.org/W4386704945","https://openalex.org/W4387968359","https://openalex.org/W4391537670","https://openalex.org/W4392049421","https://openalex.org/W4401451497","https://openalex.org/W4404544428","https://openalex.org/W4404874660","https://openalex.org/W4405675455","https://openalex.org/W4411293468","https://openalex.org/W4412181459","https://openalex.org/W4413079644","https://openalex.org/W4413335170","https://openalex.org/W4414265516","https://openalex.org/W4414782779","https://openalex.org/W4417304758","https://openalex.org/W7116983370","https://openalex.org/W7139059203","https://openalex.org/W7165663091"],"related_works":["https://openalex.org/W7155206624","https://openalex.org/W4415082681","https://openalex.org/W4414025915","https://openalex.org/W4405675455","https://openalex.org/W3192133385","https://openalex.org/W4312057572","https://openalex.org/W3150252944","https://openalex.org/W7201884176","https://openalex.org/W4385716677","https://openalex.org/W4401551178"],"abstract_inverted_index":{"ABSTRACT":[0],"Quasi\u2010two\u2010dimensional":[1],"(2D)":[2],"metal":[3,28],"halide":[4,29],"perovskites":[5,30],"have":[6],"emerged":[7],"as":[8,104],"a":[9,32,146,162],"structurally":[10],"robust,":[11],"electronically":[12],"tunable":[13],"platform":[14,148],"for":[15,35],"optoelectronic":[16,39,158],"applications.":[17],"The":[18,138],"precise":[19],"modulation":[20],"of":[21,68,101,124,169],"the":[22,37,65,76,94,105,125,134,151,166],"n":[23,48],"\u2010phase":[24,49],"distribution":[25,50],"in":[26,142],"quasi\u20102D":[27],"remains":[31],"critical":[33],"challenge":[34],"tailoring":[36],"resulting":[38],"properties.":[40],"However,":[41],"molecular":[42,66,108,111,154],"descriptors":[43,67,155],"governing":[44],"spacer\u2010dependent":[45],"crystallization":[46],"and":[47,97,118,128,156],"remain":[51],"elusive.":[52],"Herein,":[53],"we":[54,92],"present":[55],"an":[56],"integrated":[57],"framework":[58],"utilizing":[59],"machine":[60],"learning":[61],"(ML)":[62],"to":[63],"identify":[64],"spacer":[69,102],"cations":[70,103],"that":[71,132,149],"control":[72],"structural":[73],"evolution":[74],"across":[75],"2D\u20133D":[77],"perovskite":[78],"landscape.":[79],"By":[80],"combining":[81],"multiple":[82],"ML":[83],"regression":[84],"algorithms":[85],"with":[86,115],"SHapley":[87],"Additive":[88],"exPlanations":[89],"(SHAP)":[90],"analysis,":[91],"identified":[93],"melting":[95],"point":[96],"rotatable":[98],"bond":[99],"count":[100],"most":[106],"influential":[107],"descriptors.":[109],"These":[110],"features":[112],"are":[113,122],"associated":[114],"aggregational":[116],"enthalpy":[117],"conformational":[119],"flexibility,":[120],"which":[121],"indicative":[123],"thermodynamic":[126],"assembly":[127],"kinetic":[129],"diffusion":[130],"processes":[131],"determine":[133],"average":[135],"layer":[136],"thickness.":[137],"ML\u2010integrated":[139],"frameworks":[140],"discussed":[141],"this":[143],"study":[144],"establish":[145],"predictive":[147],"bridges":[150],"gap":[152],"between":[153],"target":[157],"properties,":[159],"further":[160],"providing":[161],"data\u2010driven":[163],"route":[164],"toward":[165],"rational":[167],"design":[168],"lower\u2010dimensional":[170],"perovskites.":[171]},"counts_by_year":[],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2026-09-10T00:00:00"}