{"id":"https://openalex.org/W7213320983","doi":"https://doi.org/10.48550/arxiv.2609.13939","title":"Towards a Metal-Organic Framework with Pore-Confined Electrons","display_name":"Towards a Metal-Organic Framework with Pore-Confined Electrons","publication_year":2026,"publication_date":"2026-09-12","ids":{"openalex":"https://openalex.org/W7213320983","doi":"https://doi.org/10.48550/arxiv.2609.13939"},"language":"en","primary_location":{"id":"pmh:oai:arXiv.org:2609.13939","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2609.13939","pdf_url":"https://arxiv.org/pdf/2609.13939","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["arxiv","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/2609.13939","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5118337222","display_name":"Julia H. Baratta","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Baratta, Julia H.","raw_affiliation_strings":["Department of Chemical and Biological Engineering , Princeton University , Princeton , NJ 08544 , United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical and Biological Engineering , Princeton University , Princeton , NJ 08544 , United States","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5133068220","display_name":"Andrew S. Rosen","orcid":"https://orcid.org/0000-0002-0141-7006","observed_orcids":["https://orcid.org/0000-0002-0141-7006"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Rosen, Andrew S.","raw_affiliation_strings":["Department of Chemical and Biological Engineering , Princeton University , Princeton , NJ 08544 , United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical and Biological Engineering , Princeton University , Princeton , NJ 08544 , United States","institution_ids":["https://openalex.org/I20089843"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I20089843"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10096","display_name":"Metal-Organic Frameworks: Synthesis and Applications","score":0.8838000297546387,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10096","display_name":"Metal-Organic Frameworks: Synthesis and Applications","score":0.8838000297546387,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.061400000005960464,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0142000000923872,"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/interstitial-electrons","display_name":"interstitial electrons","score":0.7870000004768372},{"id":"https://openalex.org/keywords/hydrogen-dissociation","display_name":"hydrogen dissociation","score":0.6079999804496765},{"id":"https://openalex.org/keywords/nanoporous-materials","display_name":"nanoporous materials","score":0.6740000247955322},{"id":"https://openalex.org/keywords/low-work-function-materials","display_name":"low work function materials","score":0.5450000166893005}],"concepts":[{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.7258999943733215},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.6898000240325928},{"id":"https://openalex.org/C48940184","wikidata":"https://www.wikidata.org/wiki/Q17623309","display_name":"Nanoporous","level":2,"score":0.6531999707221985},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5827000141143799},{"id":"https://openalex.org/C2779772531","wikidata":"https://www.wikidata.org/wiki/Q19689164","display_name":"Void (composites)","level":2,"score":0.5110999941825867},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5013999938964844},{"id":"https://openalex.org/C40636707","wikidata":"https://www.wikidata.org/wiki/Q13633683","display_name":"Fermi level","level":3,"score":0.4950000047683716},{"id":"https://openalex.org/C102931765","wikidata":"https://www.wikidata.org/wiki/Q189673","display_name":"Dissociation (chemistry)","level":2,"score":0.45739999413490295},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.45489999651908875},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.44519999623298645},{"id":"https://openalex.org/C6648577","wikidata":"https://www.wikidata.org/wiki/Q622669","display_name":"Porosity","level":2,"score":0.3953000009059906},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.39089998602867126},{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.3734000027179718},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.3668000102043152},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.32989999651908875},{"id":"https://openalex.org/C105569014","wikidata":"https://www.wikidata.org/wiki/Q3271208","display_name":"Porous medium","level":3,"score":0.32580000162124634},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.32109999656677246},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.31839999556541443},{"id":"https://openalex.org/C186399102","wikidata":"https://www.wikidata.org/wiki/Q903517","display_name":"Chemical stability","level":2,"score":0.3158000111579895},{"id":"https://openalex.org/C22693506","wikidata":"https://www.wikidata.org/wiki/Q3075290","display_name":"Hybrid functional","level":3,"score":0.31040000915527344},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.3003999888896942},{"id":"https://openalex.org/C178213299","wikidata":"https://www.wikidata.org/wiki/Q44424","display_name":"Chemical bond","level":2,"score":0.2705000042915344},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.2700999975204468},{"id":"https://openalex.org/C60546165","wikidata":"https://www.wikidata.org/wiki/Q188132","display_name":"Interstitial defect","level":3,"score":0.263700008392334},{"id":"https://openalex.org/C177801218","wikidata":"https://www.wikidata.org/wiki/Q36534","display_name":"Chemical reaction","level":2,"score":0.26170000433921814},{"id":"https://openalex.org/C86453669","wikidata":"https://www.wikidata.org/wiki/Q940391","display_name":"Free electron model","level":3,"score":0.25859999656677246},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.25679999589920044},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.2565999925136566},{"id":"https://openalex.org/C125485243","wikidata":"https://www.wikidata.org/wiki/Q905186","display_name":"Electron density","level":3,"score":0.25290000438690186},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.25220000743865967}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:arXiv.org:2609.13939","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2609.13939","pdf_url":"https://arxiv.org/pdf/2609.13939","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"doi:10.48550/arxiv.2609.13939","doi":"https://doi.org/10.48550/arxiv.2609.13939","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2609.13939","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:2609.13939","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2609.13939","pdf_url":"https://arxiv.org/pdf/2609.13939","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320309292","display_name":"Princeton University","ror":"https://ror.org/00hx57361"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7213320983.pdf","grobid_xml":"https://content.openalex.org/works/W7213320983.grobid-xml"},"referenced_works_count":83,"referenced_works":["https://openalex.org/W1847869304","https://openalex.org/W1947581801","https://openalex.org/W1970127494","https://openalex.org/W1981368803","https://openalex.org/W1986124179","https://openalex.org/W1986783124","https://openalex.org/W1987327282","https://openalex.org/W1992023766","https://openalex.org/W1992173555","https://openalex.org/W1992604040","https://openalex.org/W1992985800","https://openalex.org/W1994880295","https://openalex.org/W2004751437","https://openalex.org/W2007395042","https://openalex.org/W2012986644","https://openalex.org/W2015197254","https://openalex.org/W2017702218","https://openalex.org/W2020128734","https://openalex.org/W2028056984","https://openalex.org/W2042796027","https://openalex.org/W2052512097","https://openalex.org/W2068994203","https://openalex.org/W2083222334","https://openalex.org/W2085093563","https://openalex.org/W2086513155","https://openalex.org/W2091750259","https://openalex.org/W2092157292","https://openalex.org/W2096747776","https://openalex.org/W2115829136","https://openalex.org/W2122427541","https://openalex.org/W2160692701","https://openalex.org/W2285060295","https://openalex.org/W2326832383","https://openalex.org/W2329585269","https://openalex.org/W2419099686","https://openalex.org/W2588333952","https://openalex.org/W2588793851","https://openalex.org/W2599075544","https://openalex.org/W2601081289","https://openalex.org/W2738921347","https://openalex.org/W2769988827","https://openalex.org/W2783584412","https://openalex.org/W2884301807","https://openalex.org/W2897782504","https://openalex.org/W2908055693","https://openalex.org/W2908632842","https://openalex.org/W2944150364","https://openalex.org/W2951994641","https://openalex.org/W2971254933","https://openalex.org/W2982215879","https://openalex.org/W3015879182","https://openalex.org/W3017278382","https://openalex.org/W3131456856","https://openalex.org/W3143460494","https://openalex.org/W3164780983","https://openalex.org/W4210385306","https://openalex.org/W4242673452","https://openalex.org/W4280570022","https://openalex.org/W4281984102","https://openalex.org/W4283774473","https://openalex.org/W4288700655","https://openalex.org/W4311574246","https://openalex.org/W4321749151","https://openalex.org/W4386497318","https://openalex.org/W4388763620","https://openalex.org/W4388851775","https://openalex.org/W4390650196","https://openalex.org/W4403489654","https://openalex.org/W4405704531","https://openalex.org/W4407039111","https://openalex.org/W4407722077","https://openalex.org/W4408970557","https://openalex.org/W4410188611","https://openalex.org/W4412008160","https://openalex.org/W6894297419","https://openalex.org/W7117997876","https://openalex.org/W7160317103","https://openalex.org/W7160487364","https://openalex.org/W7160861511","https://openalex.org/W7161003611","https://openalex.org/W7203720817","https://openalex.org/W7203855589","https://openalex.org/W7211968564"],"related_works":["https://openalex.org/W7204627163","https://openalex.org/W2913289578","https://openalex.org/W3016262760","https://openalex.org/W4409768822","https://openalex.org/W4400959614","https://openalex.org/W2998307979","https://openalex.org/W4382364417","https://openalex.org/W2903394003","https://openalex.org/W3122770167","https://openalex.org/W2951932776"],"abstract_inverted_index":{"Electrides":[0],"are":[1,10],"an":[2,112],"unconventional":[3],"class":[4,52],"of":[5,53,60,69,165],"materials":[6,54,72,158],"in":[7,12,80,109,156,167,173],"which":[8,168],"electrons":[9,59,108,130,155],"localized":[11,79],"crystallographic":[13],"void":[14],"spaces":[15],"rather":[16],"than":[17],"solely":[18],"around":[19],"atomic":[20],"nuclei,":[21],"giving":[22],"rise":[23],"to":[24,44],"appealing":[25],"properties":[26],"such":[27],"as":[28],"low":[29],"work":[30],"functions,":[31],"strong":[32],"electron-donating":[33],"character,":[34],"and":[35,66,84,116],"even":[36],"superconductivity.":[37],"Here,":[38],"we":[39,100,124],"use":[40],"ab":[41],"initio":[42],"methods":[43],"investigate":[45],"metal-organic":[46],"framework":[47],"(MOF)":[48],"electrides,":[49],"a":[50,122,148,161],"new":[51,163],"that":[55,127,153],"combines":[56],"the":[57,63,81,92,128,138,174],"interstitial":[58],"electrides":[61],"with":[62,85],"permanent":[64],"porosity":[65],"chemical":[67,134,169],"tunability":[68],"MOFs.":[70],"These":[71],"host":[73],"pore-confined":[74,107,129,154],"electrons:":[75],"occupied":[76],"electronic":[77],"states":[78],"pore":[82,175],"space":[83],"bands":[86],"slightly":[87],"below":[88],"or":[89],"crossing":[90],"through":[91],"Fermi":[93],"level.":[94],"Using":[95],"density":[96],"functional":[97],"theory":[98],"calculations,":[99],"establish":[101],"several":[102],"design":[103],"rules":[104],"for":[105,141],"stabilizing":[106],"MOFs":[110],"via":[111],"anion-electron":[113],"exchange":[114],"process":[115],"identify":[117],"candidate":[118],"MOF":[119],"electrides.":[120],"As":[121],"proof-of-concept,":[123],"also":[125],"demonstrate":[126],"can":[131],"directly":[132],"facilitate":[133],"reactions,":[135],"substantially":[136],"lowering":[137],"activation":[139],"barrier":[140],"H2":[142],"dissociation":[143],"without":[144],"requiring":[145],"adsorption":[146],"at":[147],"surface":[149],"site.":[150],"We":[151],"envision":[152],"nanoporous":[157],"may":[159],"enable":[160],"fundamentally":[162],"type":[164],"catalysis":[166],"reactions":[170],"take":[171],"place":[172],"space,":[176],"driven":[177],"by":[178],"electron-centered":[179],"active":[180],"sites.":[181]},"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2026-09-16T00:00:00"}
