{"id":"https://openalex.org/W7140190205","doi":"https://doi.org/10.48550/arxiv.2603.22254","title":"Characterizing High-Capacity Janus Aminobenzene-Graphene Anode for Sodium-Ion Batteries with Machine Learning","display_name":"Characterizing High-Capacity Janus Aminobenzene-Graphene Anode for Sodium-Ion Batteries with Machine Learning","publication_year":2026,"publication_date":"2026-03-23","ids":{"openalex":"https://openalex.org/W7140190205","doi":"https://doi.org/10.48550/arxiv.2603.22254"},"language":null,"primary_location":{"id":"doi:10.48550/arxiv.2603.22254","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2603.22254","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"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":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"},"type":"preprint","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.48550/arxiv.2603.22254","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"Islas-Vargas, Claudia","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Islas-Vargas, Claudia","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Montoya, L. Ricardo","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Montoya, L. Ricardo","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Vital-Jos\u00e9, Carlos A.","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Vital-Jos\u00e9, Carlos A.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Unke, Oliver T.","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Unke, Oliver T.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"M\u00fcller, Klaus-Robert","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"M\u00fcller, Klaus-Robert","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":null,"display_name":"Sauceda, Huziel E.","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Sauceda, Huziel E.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":6,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"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/T10018","display_name":"Advancements in Battery Materials","score":0.9067999720573425,"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/T10018","display_name":"Advancements in Battery Materials","score":0.9067999720573425,"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/T10281","display_name":"Advanced Battery Materials and Technologies","score":0.029500000178813934,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.022700000554323196,"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/anode","display_name":"Anode","score":0.8119000196456909},{"id":"https://openalex.org/keywords/janus","display_name":"Janus","score":0.8057000041007996},{"id":"https://openalex.org/keywords/electrode","display_name":"Electrode","score":0.48899999260902405},{"id":"https://openalex.org/keywords/battery","display_name":"Battery (electricity)","score":0.4577000141143799},{"id":"https://openalex.org/keywords/gravimetric-analysis","display_name":"Gravimetric analysis","score":0.4140999913215637},{"id":"https://openalex.org/keywords/power","display_name":"Power (physics)","score":0.41359999775886536},{"id":"https://openalex.org/keywords/charge","display_name":"Charge (physics)","score":0.40639999508857727},{"id":"https://openalex.org/keywords/volume","display_name":"Volume (thermodynamics)","score":0.4043999910354614}],"concepts":[{"id":"https://openalex.org/C89395315","wikidata":"https://www.wikidata.org/wiki/Q181232","display_name":"Anode","level":3,"score":0.8119000196456909},{"id":"https://openalex.org/C2779290492","wikidata":"https://www.wikidata.org/wiki/Q6155940","display_name":"Janus","level":2,"score":0.8057000041007996},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6036999821662903},{"id":"https://openalex.org/C17525397","wikidata":"https://www.wikidata.org/wiki/Q176140","display_name":"Electrode","level":2,"score":0.48899999260902405},{"id":"https://openalex.org/C555008776","wikidata":"https://www.wikidata.org/wiki/Q267298","display_name":"Battery (electricity)","level":3,"score":0.4577000141143799},{"id":"https://openalex.org/C96278889","wikidata":"https://www.wikidata.org/wiki/Q192414","display_name":"Gravimetric analysis","level":2,"score":0.4140999913215637},{"id":"https://openalex.org/C163258240","wikidata":"https://www.wikidata.org/wiki/Q25342","display_name":"Power (physics)","level":2,"score":0.41359999775886536},{"id":"https://openalex.org/C188082385","wikidata":"https://www.wikidata.org/wiki/Q73792","display_name":"Charge (physics)","level":2,"score":0.40639999508857727},{"id":"https://openalex.org/C20556612","wikidata":"https://www.wikidata.org/wiki/Q4469374","display_name":"Volume (thermodynamics)","level":2,"score":0.4043999910354614},{"id":"https://openalex.org/C30080830","wikidata":"https://www.wikidata.org/wiki/Q169917","display_name":"Graphene","level":2,"score":0.400299996137619},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.38370001316070557},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.36809998750686646},{"id":"https://openalex.org/C165801399","wikidata":"https://www.wikidata.org/wiki/Q25428","display_name":"Voltage","level":2,"score":0.32760000228881836},{"id":"https://openalex.org/C119599485","wikidata":"https://www.wikidata.org/wiki/Q43035","display_name":"Electrical engineering","level":1,"score":0.32600000500679016},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3084999918937683},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.30309998989105225},{"id":"https://openalex.org/C60799052","wikidata":"https://www.wikidata.org/wiki/Q46221","display_name":"Electric field","level":2,"score":0.30149999260902405},{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.2948000133037567},{"id":"https://openalex.org/C73916439","wikidata":"https://www.wikidata.org/wiki/Q837718","display_name":"Energy storage","level":3,"score":0.2745000123977661},{"id":"https://openalex.org/C78519656","wikidata":"https://www.wikidata.org/wiki/Q101333","display_name":"Mechanical engineering","level":1,"score":0.26170000433921814},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.2599000036716461},{"id":"https://openalex.org/C2780030769","wikidata":"https://www.wikidata.org/wiki/Q4968575","display_name":"Plateau (mathematics)","level":2,"score":0.25940001010894775},{"id":"https://openalex.org/C57631264","wikidata":"https://www.wikidata.org/wiki/Q1812203","display_name":"Open-circuit voltage","level":3,"score":0.25920000672340393},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.25}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.48550/arxiv.2603.22254","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2603.22254","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"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":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article"}],"best_oa_location":{"id":"doi:10.48550/arxiv.2603.22254","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2603.22254","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"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":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","score":0.41415929794311523,"display_name":"Affordable and clean energy"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"Sodium-ion":[0],"batteries":[1],"require":[2],"anodes":[3,19],"that":[4],"combine":[5],"high":[6],"capacity,":[7],"low":[8],"operating":[9],"voltage,":[10],"fast":[11],"Na-ion":[12,138],"transport,":[13],"and":[14,63,76,109,140],"mechanical":[15],"stability,":[16],"which":[17],"conventional":[18],"struggle":[20],"to":[21,38,84,117],"deliver.":[22],"Here,":[23],"we":[24],"use":[25],"the":[26,72,142],"SpookyNet":[27],"machine-learning":[28],"force":[29],"field":[30],"(MLFF)":[31],"together":[32],"with":[33,88],"all-electron":[34],"density-functional":[35],"theory":[36],"calculations":[37],"characterize":[39],"Na":[40,110],"storage":[41,57],"in":[42,79,124],"aminobenzene-functionalized":[43],"Janus":[44,130],"graphene":[45],"(Na$_x$AB)":[46],"at":[47,60],"room-temperature.":[48],"Simulations":[49],"across":[50],"state":[51],"of":[52,93,102,112,120,144],"charge":[53],"reveal":[54],"a":[55,133],"three-stage":[56],"mechanism-site-specific":[58],"adsorption":[59],"aminobenzene":[61],"groups":[62],"Na$_n$@AB$_m$":[64],"structure":[65],"formation,":[66],"followed":[67],"by":[68],"interlayer":[69],"gallery":[70],"filling-contrasting":[71],"multi-stage":[73],"pore-,":[74],"graphite-interlayer-,":[75],"defect-controlled":[77],"behavior":[78],"hard":[80,125],"carbon.":[81,126],"This":[82],"leads":[83],"an":[85,89,98],"OCV":[86],"profile":[87],"extended":[90],"low-voltage":[91],"plateau":[92],"0.15":[94],"V":[95],"vs.":[96],"Na/Na$^{+}$,":[97],"estimated":[99],"gravimetric":[100],"capacity":[101],"$\\sim$400":[103],"mAh":[104],"g$^{-1}$,":[105],"negligible":[106],"volume":[107],"change,":[108],"diffusivities":[111],"$\\sim10^{-6}$":[113],"cm$^{2}$":[114],"s$^{-1}$,":[115],"two":[116],"three":[118],"orders":[119],"magnitude":[121],"higher":[122],"than":[123],"Our":[127],"results":[128],"establish":[129],"aminobenzene-graphene":[131],"as":[132],"promising,":[134],"structurally":[135],"defined":[136],"high-capacity":[137],"anode":[139],"illustrate":[141],"power":[143],"MLFF-based":[145],"simulations":[146],"for":[147],"characterizing":[148],"electrode":[149],"materials.":[150]},"counts_by_year":[],"updated_date":"2026-04-25T08:17:42.794288","created_date":"2026-03-25T00:00:00"}
