{"id":"https://openalex.org/W7221108060","doi":"https://doi.org/10.48550/arxiv.2610.12055","title":"Binding Energies of Astrophysically Relevant Molecules on CO$_2$ Clusters: Benchmarking and the Donor-Acceptor Origin of Surface-Dependent Binding","display_name":"Binding Energies of Astrophysically Relevant Molecules on CO$_2$ Clusters: Benchmarking and the Donor-Acceptor Origin of Surface-Dependent Binding","publication_year":2026,"publication_date":"2026-10-08","ids":{"openalex":"https://openalex.org/W7221108060","doi":"https://doi.org/10.48550/arxiv.2610.12055"},"language":"en","primary_location":{"id":"pmh:oai:arXiv.org:2610.12055","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2610.12055","pdf_url":"https://arxiv.org/pdf/2610.12055","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/2610.12055","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5060677724","display_name":"Aneesa Ahmad","orcid":"https://orcid.org/0009-0005-6138-492X","observed_orcids":["https://orcid.org/0009-0005-6138-492X"]},"institutions":[{"id":"https://openalex.org/I130828816","display_name":"University of Leeds","ror":"https://ror.org/024mrxd33","country_code":"GB","type":"education","lineage":["https://openalex.org/I130828816"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Ahmad, Aneesa","raw_affiliation_strings":["School of Physics and Astronomy , University of Leeds , Leeds , UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics and Astronomy , University of Leeds , Leeds , UK","institution_ids":["https://openalex.org/I130828816"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5139500688","display_name":"Catherine Walsh","orcid":"https://orcid.org/0000-0001-6078-786X","observed_orcids":["https://orcid.org/0000-0001-6078-786X"]},"institutions":[{"id":"https://openalex.org/I130828816","display_name":"University of Leeds","ror":"https://ror.org/024mrxd33","country_code":"GB","type":"education","lineage":["https://openalex.org/I130828816"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Walsh, Catherine","raw_affiliation_strings":["School of Physics and Astronomy , University of Leeds , Leeds , UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics and Astronomy , University of Leeds , Leeds , UK","institution_ids":["https://openalex.org/I130828816"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5030267150","display_name":"Stefan Vogt\u2010Geisse","orcid":"https://orcid.org/0000-0002-3102-1774","observed_orcids":["https://orcid.org/0000-0002-3102-1774"]},"institutions":[{"id":"https://openalex.org/I130828816","display_name":"University of Leeds","ror":"https://ror.org/024mrxd33","country_code":"GB","type":"education","lineage":["https://openalex.org/I130828816"]},{"id":"https://openalex.org/I172787465","display_name":"University of Concepci\u00f3n","ror":"https://ror.org/0460jpj73","country_code":"CL","type":"education","lineage":["https://openalex.org/I172787465"]}],"countries":["CL","GB"],"is_corresponding":false,"raw_author_name":"Vogt-Geisse, Stefan","raw_affiliation_strings":["Departamento de F\u00edsico-Qu\u00edmica , Facultad de Ciencias Qu\u00edmicas , Universidad de Concepci\u00f3n , Concepci\u00f3n , Chile","School of Physics and Astronomy , University of Leeds , Leeds , UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de F\u00edsico-Qu\u00edmica , Facultad de Ciencias Qu\u00edmicas , Universidad de Concepci\u00f3n , Concepci\u00f3n , Chile","institution_ids":["https://openalex.org/I172787465"]},{"raw_affiliation_string":"School of Physics and Astronomy , University of Leeds , Leeds , UK","institution_ids":["https://openalex.org/I130828816"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"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/T10477","display_name":"Astrophysics and Star Formation Studies","score":0.8939999938011169,"subfield":{"id":"https://openalex.org/subfields/3103","display_name":"Astronomy and Astrophysics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10477","display_name":"Astrophysics and Star Formation Studies","score":0.8939999938011169,"subfield":{"id":"https://openalex.org/subfields/3103","display_name":"Astronomy and Astrophysics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.04170000180602074,"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"}},{"id":"https://openalex.org/T10325","display_name":"Astro and Planetary Science","score":0.010700000450015068,"subfield":{"id":"https://openalex.org/subfields/1912","display_name":"Space and Planetary Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/carbon-dioxide-ice","display_name":"carbon dioxide ice","score":0.8140000104904175},{"id":"https://openalex.org/keywords/binding-energy","display_name":"binding energy","score":0.8059999942779541},{"id":"https://openalex.org/keywords/co2-clusters","display_name":"CO2 clusters","score":0.8420000076293945},{"id":"https://openalex.org/keywords/interstellar-ices","display_name":"interstellar ices","score":0.8600000143051147},{"id":"https://openalex.org/keywords/hydrogen-bonding","display_name":"hydrogen bonding","score":0.6019999980926514},{"id":"https://openalex.org/keywords/donor-acceptor-interactions","display_name":"donor-acceptor interactions","score":0.9279999732971191},{"id":"https://openalex.org/keywords/desorption-temperature","display_name":"desorption temperature","score":0.6000000238418579},{"id":"https://openalex.org/keywords/formaldehyde","display_name":"formaldehyde","score":0.5180000066757202},{"id":"https://openalex.org/keywords/cluster-size-effects","display_name":"cluster size effects","score":0.6389999985694885},{"id":"https://openalex.org/keywords/astrochemistry","display_name":"astrochemistry","score":0.7889999747276306},{"id":"https://openalex.org/keywords/formic-acid","display_name":"formic acid","score":0.47200000286102295},{"id":"https://openalex.org/keywords/methanol","display_name":"methanol","score":0.5379999876022339}],"concepts":[{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.8209999799728394},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6122000217437744},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5853000283241272},{"id":"https://openalex.org/C162711632","wikidata":"https://www.wikidata.org/wiki/Q905514","display_name":"Desorption","level":3,"score":0.49380001425743103},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4934999942779541},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.4747999906539917},{"id":"https://openalex.org/C149268418","wikidata":"https://www.wikidata.org/wiki/Q17058538","display_name":"Interstellar ice","level":5,"score":0.45320001244544983},{"id":"https://openalex.org/C180920033","wikidata":"https://www.wikidata.org/wiki/Q11680018","display_name":"Astrochemistry","level":4,"score":0.4381999969482422},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.435699999332428},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.4174000024795532},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.3950999975204468},{"id":"https://openalex.org/C151465644","wikidata":"https://www.wikidata.org/wiki/Q1054444","display_name":"Interstellar cloud","level":4,"score":0.387800008058548},{"id":"https://openalex.org/C196939603","wikidata":"https://www.wikidata.org/wiki/Q41872","display_name":"Interstellar medium","level":3,"score":0.3474000096321106},{"id":"https://openalex.org/C2994303710","wikidata":"https://www.wikidata.org/wiki/Q7973512","display_name":"Water ice","level":2,"score":0.30140000581741333},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.29919999837875366},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2809000015258789},{"id":"https://openalex.org/C530467964","wikidata":"https://www.wikidata.org/wiki/Q1997","display_name":"Carbon dioxide","level":2,"score":0.2768000066280365},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.2757999897003174},{"id":"https://openalex.org/C512735826","wikidata":"https://www.wikidata.org/wiki/Q2025","display_name":"Carbon monoxide","level":3,"score":0.2743000090122223},{"id":"https://openalex.org/C140205800","wikidata":"https://www.wikidata.org/wiki/Q5860","display_name":"Carbon fibers","level":3,"score":0.27079999446868896},{"id":"https://openalex.org/C2989277613","wikidata":"https://www.wikidata.org/wiki/Q283","display_name":"Liquid water","level":2,"score":0.26899999380111694},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.265500009059906},{"id":"https://openalex.org/C2775930285","wikidata":"https://www.wikidata.org/wiki/Q161210","display_name":"Formaldehyde","level":2,"score":0.25769999623298645}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:arXiv.org:2610.12055","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2610.12055","pdf_url":"https://arxiv.org/pdf/2610.12055","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.2610.12055","doi":"https://doi.org/10.48550/arxiv.2610.12055","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2610.12055","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:2610.12055","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2610.12055","pdf_url":"https://arxiv.org/pdf/2610.12055","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":[{"display_name":"Climate action","score":0.821399986743927,"id":"https://metadata.un.org/sdg/13"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G3082607585","display_name":null,"funder_award_id":"ST/X001016/1","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G6274775403","display_name":null,"funder_award_id":"MR/Z00029X/1","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G66383096","display_name":null,"funder_award_id":"MR/T040726/1","funder_id":"https://openalex.org/F4320334632","funder_display_name":"Science and Technology Facilities Council"},{"id":"https://openalex.org/G6714624843","display_name":"A Programme of Astrophysical Research at Leeds","funder_award_id":"ST/X001016/1","funder_id":"https://openalex.org/F4320334632","funder_display_name":"Science and Technology Facilities Council"},{"id":"https://openalex.org/G836375481","display_name":null,"funder_award_id":"MR/T040726/1","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"}],"funders":[{"id":"https://openalex.org/F4320314731","display_name":"UK Research and Innovation","ror":"https://ror.org/001aqnf71"},{"id":"https://openalex.org/F4320320298","display_name":"University of Leeds","ror":"https://ror.org/024mrxd33"},{"id":"https://openalex.org/F4320334632","display_name":"Science and Technology Facilities Council","ror":"https://ror.org/057g20z61"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7221108060.pdf","grobid_xml":"https://content.openalex.org/works/W7221108060.grobid-xml"},"referenced_works_count":52,"referenced_works":["https://openalex.org/W1941223769","https://openalex.org/W1972568324","https://openalex.org/W1981368803","https://openalex.org/W1985118523","https://openalex.org/W1988091937","https://openalex.org/W1992311929","https://openalex.org/W1993658961","https://openalex.org/W1995874092","https://openalex.org/W1997817749","https://openalex.org/W2011734181","https://openalex.org/W2019198605","https://openalex.org/W2035666793","https://openalex.org/W2060661779","https://openalex.org/W2065344026","https://openalex.org/W2066077802","https://openalex.org/W2082574047","https://openalex.org/W2085397457","https://openalex.org/W2092157292","https://openalex.org/W2096249383","https://openalex.org/W2096747776","https://openalex.org/W2101722172","https://openalex.org/W2104741799","https://openalex.org/W2114700927","https://openalex.org/W2148941593","https://openalex.org/W2150032215","https://openalex.org/W2173841056","https://openalex.org/W2192685533","https://openalex.org/W2294092621","https://openalex.org/W2525934836","https://openalex.org/W2572992421","https://openalex.org/W2575233866","https://openalex.org/W2605844354","https://openalex.org/W2639728117","https://openalex.org/W2739312284","https://openalex.org/W2771007408","https://openalex.org/W2950607295","https://openalex.org/W2951690963","https://openalex.org/W2963265295","https://openalex.org/W3091856424","https://openalex.org/W4212915236","https://openalex.org/W4293212077","https://openalex.org/W4301029837","https://openalex.org/W4317757498","https://openalex.org/W4377015798","https://openalex.org/W4387407158","https://openalex.org/W4391670732","https://openalex.org/W4403000254","https://openalex.org/W4403947758","https://openalex.org/W4408799979","https://openalex.org/W4415412533","https://openalex.org/W7155202031","https://openalex.org/W7171707397"],"related_works":["https://openalex.org/W3148517605","https://openalex.org/W7161172446","https://openalex.org/W4415123407","https://openalex.org/W2294092621","https://openalex.org/W3135769645","https://openalex.org/W4308865692","https://openalex.org/W6903367571","https://openalex.org/W4380627403","https://openalex.org/W3087699213","https://openalex.org/W3171632629"],"abstract_inverted_index":{"Carbon":[0],"dioxide":[1],"(CO$_2$)":[2],"is":[3,155],"among":[4],"the":[5,78,86,89,127,180,192,220],"most":[6],"abundant":[7],"interstellar":[8],"ices":[9],"and":[10,19,106,139,150,172],"has":[11],"been":[12],"observed":[13],"by":[14,212],"JWST":[15],"in":[16,205],"water-rich":[17,170],"mixtures":[18],"pure":[20],"CO$_2$":[21,39,61,97,130,239],"environments.":[22],"Astrochemical":[23],"models":[24],"adopt":[25],"binding":[26,182,199],"energies":[27,183],"(BEs)":[28],"measured":[29],"on":[30,60,84,122,129],"water":[31,112,132],"ice":[32,113,133,207,246],"because":[33],"few":[34],"BEs":[35,210],"are":[36,184],"available":[37],"for":[38,45,137,141,145,148,152,189,227,232],"ice.":[40],"We":[41],"calculate":[42],"BE":[43,128],"distributions":[44],"twelve":[46],"adsorbates":[47],"(N$_2$,":[48],"CH$_4$,":[49],"HCl,":[50],"C$_2$H$_2$,":[51],"H$_2$S,":[52],"HF,":[53],"HCN,":[54],"H$_2$CO,":[55],"HCOOH,":[56],"HNC,":[57],"CH$_3$OH,":[58,146],"H$_2$O)":[59],"clusters":[62],"containing":[63],"two":[64],"to":[65,77,91,131,143,157,175,197,202,229],"five":[66],"molecules":[67],"using":[68],"DFT":[69],"calibrated":[70],"against":[71],"CCSD(T)/CBS,":[72],"a":[73,93],"coupled-cluster":[74],"treatment":[75],"extrapolated":[76],"complete-basis-set":[79],"limit.":[80],"Binding":[81],"strength":[82],"depends":[83],"whether":[85],"adsorbate":[87],"requires":[88],"surface":[90],"donate":[92,104],"hydrogen":[94],"bond":[95],"(H-bond).":[96],"can":[98,194],"accept":[99],"an":[100],"H-bond":[101],"but":[102],"cannot":[103],"one,":[105],"all":[107],"six":[108],"species":[109],"compared":[110,165],"with":[111,166,186],"from":[114,135,162,169,224],"Ahmad":[115],"et":[116],"al.":[117],"(2026)":[118],"bind":[119],"more":[120,213],"weakly":[121],"CO$_2$.":[123],"The":[124,209,234],"ratio":[125],"of":[126,238,243],"ranges":[134],"0.66":[136],"H$_2$CO":[138],"0.75":[140],"H$_2$O":[142],"0.87":[144],"0.89":[147],"HCOOH":[149],"0.92":[151],"C$_2$H$_2$.":[153],"Formaldehyde":[154],"predicted":[156],"desorb":[158],"near":[159],"57":[160],"K":[161,168,216,226,231],"CO$_2$-rich":[163,248],"ice,":[164,171],"85":[167],"could":[173],"contribute":[174],"cold":[176],"gas-phase":[177],"H$_2$CO.":[178],"Although":[179],"mean":[181],"changing":[185],"cluster":[187],"size":[188],"several":[190],"species,":[191],"differences":[193],"be":[195],"traced":[196],"local":[198],"interactions":[200],"likely":[201],"remain":[203],"important":[204],"larger":[206],"models.":[208],"vary":[211],"than":[214],"500":[215],"between":[217],"sites,":[218],"while":[219],"desorption":[221],"peaks":[222],"range":[223],"11":[225],"CH$_4$":[228],"132":[230],"HCOOH.":[233],"limited":[235],"H-bonding":[236],"capacity":[237],"may":[240],"favour":[241],"separation":[242],"mixed":[244],"H$_2$O:CO$_2$":[245],"into":[247],"domains.":[249]},"counts_by_year":[],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2026-10-10T00:00:00"}
