{"id":"https://openalex.org/W7225728958","doi":"https://doi.org/10.1021/acsnano.6c14267","title":"Deciphering Charge Delocalization across Mercaptobenzonitrile Ligand Terminals and Inner Hydrides in Atomically Precise Cu14H10 Nanoclusters for Electrocatalytic CO2 Reduction","display_name":"Deciphering Charge Delocalization across Mercaptobenzonitrile Ligand Terminals and Inner Hydrides in Atomically Precise Cu14H10 Nanoclusters for Electrocatalytic CO2 Reduction","publication_year":2026,"publication_date":"2026-11-11","ids":{"openalex":"https://openalex.org/W7225728958","doi":"https://doi.org/10.1021/acsnano.6c14267"},"language":"en","primary_location":{"id":"doi:10.1021/acsnano.6c14267","doi":"https://doi.org/10.1021/acsnano.6c14267","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acsnano.6c14267","pdf_url":null,"source":{"id":"https://openalex.org/S145476921","display_name":"ACS Nano","issn_l":"1936-0851","issn":["1936-0851","1936-086X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","doyens","jufo-3","ki-jl-3","medline","norway-2","poland-200","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Nano","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1021/acsnano.6c14267","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5121889980","display_name":"Anik Sarkar","orcid":"https://orcid.org/0009-0003-8366-1743","observed_orcids":["https://orcid.org/0009-0003-8366-1743"]},"institutions":[{"id":"https://openalex.org/I181565077","display_name":"Georgia State University","ror":"https://ror.org/03qt6ba18","country_code":"US","type":"education","lineage":["https://openalex.org/I181565077"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Anik Sarkar","raw_affiliation_strings":["Georgia State University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Georgia State University , , , ,","institution_ids":["https://openalex.org/I181565077"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5097027602","display_name":"Sarah Elhajj","orcid":"https://orcid.org/0000-0002-7553-5662","observed_orcids":["https://orcid.org/0000-0002-7553-5662"]},"institutions":[{"id":"https://openalex.org/I181565077","display_name":"Georgia State University","ror":"https://ror.org/03qt6ba18","country_code":"US","type":"education","lineage":["https://openalex.org/I181565077"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sarah Elhajj","raw_affiliation_strings":["Georgia State University , , , ,"],"raw_orcid":"https://orcid.org/0000-0002-7553-5662","affiliations":[{"raw_affiliation_string":"Georgia State University , , , ,","institution_ids":["https://openalex.org/I181565077"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5161413362","display_name":"Zhicheng Yang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I79576946","display_name":"University of Pennsylvania","ror":"https://ror.org/00b30xv10","country_code":"US","type":"education","lineage":["https://openalex.org/I79576946"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zhicheng Yang","raw_affiliation_strings":["University of Pennsylvania , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Pennsylvania , , , ,","institution_ids":["https://openalex.org/I79576946"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060733301","display_name":"Manju P. Maman","orcid":"https://orcid.org/0000-0002-8718-4695","observed_orcids":["https://orcid.org/0000-0002-8718-4695"]},"institutions":[{"id":"https://openalex.org/I181565077","display_name":"Georgia State University","ror":"https://ror.org/03qt6ba18","country_code":"US","type":"education","lineage":["https://openalex.org/I181565077"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Manju P. Maman","raw_affiliation_strings":["Georgia State University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Georgia State University , , , ,","institution_ids":["https://openalex.org/I181565077"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108206118","display_name":"Zhenming Du","orcid":"https://orcid.org/0000-0001-9736-3198","observed_orcids":["https://orcid.org/0000-0001-9736-3198"]},"institutions":[{"id":"https://openalex.org/I181565077","display_name":"Georgia State University","ror":"https://ror.org/03qt6ba18","country_code":"US","type":"education","lineage":["https://openalex.org/I181565077"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zhenming Du","raw_affiliation_strings":["Georgia State University , , , ,"],"raw_orcid":"https://orcid.org/0000-0001-9736-3198","affiliations":[{"raw_affiliation_string":"Georgia State University , , , ,","institution_ids":["https://openalex.org/I181565077"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049751649","display_name":"Ryan T. VanderLinden","orcid":"https://orcid.org/0000-0002-0128-1284","observed_orcids":["https://orcid.org/0000-0002-0128-1284"]},"institutions":[{"id":"https://openalex.org/I223532165","display_name":"University of Utah","ror":"https://ror.org/03r0ha626","country_code":"US","type":"education","lineage":["https://openalex.org/I223532165"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ryan T. VanderLinden","raw_affiliation_strings":["University of Utah , , , ,"],"raw_orcid":"https://orcid.org/0000-0002-0128-1284","affiliations":[{"raw_affiliation_string":"University of Utah , , , ,","institution_ids":["https://openalex.org/I223532165"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089957292","display_name":"Guoxiang Hu","orcid":"https://orcid.org/0000-0003-2942-8564","observed_orcids":["https://orcid.org/0000-0003-2942-8564"]},"institutions":[{"id":"https://openalex.org/I130701444","display_name":"Georgia Institute of Technology","ror":"https://ror.org/01zkghx44","country_code":"US","type":"education","lineage":["https://openalex.org/I130701444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Guoxiang Hu","raw_affiliation_strings":["Georgia Institute of Technology , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Georgia Institute of Technology , , , ,","institution_ids":["https://openalex.org/I130701444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067322077","display_name":"Tianquan T. Lian","orcid":"https://orcid.org/0000-0002-8351-3690","observed_orcids":["https://orcid.org/0000-0002-8351-3690"]},"institutions":[{"id":"https://openalex.org/I79576946","display_name":"University of Pennsylvania","ror":"https://ror.org/00b30xv10","country_code":"US","type":"education","lineage":["https://openalex.org/I79576946"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Tianquan Lian","raw_affiliation_strings":["University of Pennsylvania , , , ,"],"raw_orcid":"https://orcid.org/0000-0002-8351-3690","affiliations":[{"raw_affiliation_string":"University of Pennsylvania , , , ,","institution_ids":["https://openalex.org/I79576946"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061915100","display_name":"Samer Gozem","orcid":"https://orcid.org/0000-0002-6429-2853","observed_orcids":["https://orcid.org/0000-0002-6429-2853"]},"institutions":[{"id":"https://openalex.org/I181565077","display_name":"Georgia State University","ror":"https://ror.org/03qt6ba18","country_code":"US","type":"education","lineage":["https://openalex.org/I181565077"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Samer Gozem","raw_affiliation_strings":["Georgia State University , , , ,"],"raw_orcid":"https://orcid.org/0000-0002-6429-2853","affiliations":[{"raw_affiliation_string":"Georgia State University , , , ,","institution_ids":["https://openalex.org/I181565077"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5009710659","display_name":"Gangli Wang","orcid":"https://orcid.org/0000-0001-9204-7807","observed_orcids":["https://orcid.org/0000-0001-9204-7807"]},"institutions":[{"id":"https://openalex.org/I181565077","display_name":"Georgia State University","ror":"https://ror.org/03qt6ba18","country_code":"US","type":"education","lineage":["https://openalex.org/I181565077"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gangli Wang","raw_affiliation_strings":["Georgia State University , , , ,"],"raw_orcid":"https://orcid.org/0000-0001-9204-7807","affiliations":[{"raw_affiliation_string":"Georgia State University , , , ,","institution_ids":["https://openalex.org/I181565077"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":{"value":4500,"currency":"USD","value_usd":4500},"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":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12149","display_name":"Nanocluster Synthesis and Applications","score":0.9955999851226807,"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/T12149","display_name":"Nanocluster Synthesis and Applications","score":0.9955999851226807,"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/T12557","display_name":"Inorganic Chemistry and Materials","score":0.0013000000035390258,"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/T11784","display_name":"CO2 Reduction Techniques and Catalysts","score":0.0010999999940395355,"subfield":{"id":"https://openalex.org/subfields/2105","display_name":"Renewable Energy, Sustainability and the Environment"},"field":{"id":"https://openalex.org/fields/21","display_name":"Energy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[],"concepts":[{"id":"https://openalex.org/C2778402822","wikidata":"https://www.wikidata.org/wiki/Q22302226","display_name":"Nanoclusters","level":2,"score":0.8762999773025513},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.6243000030517578},{"id":"https://openalex.org/C70050531","wikidata":"https://www.wikidata.org/wiki/Q899089","display_name":"Delocalized electron","level":2,"score":0.6226000189781189},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5508000254631042},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5357000231742859},{"id":"https://openalex.org/C2777961443","wikidata":"https://www.wikidata.org/wiki/Q106520","display_name":"Hydride","level":3,"score":0.5049999952316284},{"id":"https://openalex.org/C155220765","wikidata":"https://www.wikidata.org/wiki/Q16905737","display_name":"Photoexcitation","level":3,"score":0.4966000020503998},{"id":"https://openalex.org/C119824511","wikidata":"https://www.wikidata.org/wiki/Q13553575","display_name":"Absorption spectroscopy","level":2,"score":0.49399998784065247},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.43779999017715454},{"id":"https://openalex.org/C32891209","wikidata":"https://www.wikidata.org/wiki/Q483666","display_name":"Spectroscopy","level":2,"score":0.41440001130104065},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4075999855995178},{"id":"https://openalex.org/C73922627","wikidata":"https://www.wikidata.org/wiki/Q754943","display_name":"Single crystal","level":2,"score":0.40230000019073486},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.3986000120639801},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.337799996137619},{"id":"https://openalex.org/C96141758","wikidata":"https://www.wikidata.org/wiki/Q216817","display_name":"Emission spectrum","level":3,"score":0.3294999897480011},{"id":"https://openalex.org/C188082385","wikidata":"https://www.wikidata.org/wiki/Q73792","display_name":"Charge (physics)","level":2,"score":0.3158000111579895},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3142000138759613},{"id":"https://openalex.org/C2777247709","wikidata":"https://www.wikidata.org/wiki/Q115493","display_name":"Triphenylphosphine","level":3,"score":0.31060001254081726},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.30880001187324524},{"id":"https://openalex.org/C2781285689","wikidata":"https://www.wikidata.org/wiki/Q21921428","display_name":"Crystal (programming language)","level":2,"score":0.30300000309944153},{"id":"https://openalex.org/C125287762","wikidata":"https://www.wikidata.org/wiki/Q1758948","display_name":"Absorption (acoustics)","level":2,"score":0.30219998955726624},{"id":"https://openalex.org/C95503338","wikidata":"https://www.wikidata.org/wiki/Q186105","display_name":"Ultrafast laser spectroscopy","level":3,"score":0.29750001430511475},{"id":"https://openalex.org/C62284982","wikidata":"https://www.wikidata.org/wiki/Q903103","display_name":"X-ray absorption spectroscopy","level":3,"score":0.2831000089645386},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.28119999170303345},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.28029999136924744},{"id":"https://openalex.org/C150708132","wikidata":"https://www.wikidata.org/wiki/Q744771","display_name":"Charge density","level":2,"score":0.2800999879837036},{"id":"https://openalex.org/C24123453","wikidata":"https://www.wikidata.org/wiki/Q900121","display_name":"Molecular vibration","level":3,"score":0.26919999718666077},{"id":"https://openalex.org/C153642686","wikidata":"https://www.wikidata.org/wiki/Q70906","display_name":"Infrared spectroscopy","level":2,"score":0.26510000228881836},{"id":"https://openalex.org/C52859227","wikidata":"https://www.wikidata.org/wiki/Q7877","display_name":"Electrochemistry","level":3,"score":0.2646999955177307}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/acsnano.6c14267","doi":"https://doi.org/10.1021/acsnano.6c14267","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acsnano.6c14267","pdf_url":null,"source":{"id":"https://openalex.org/S145476921","display_name":"ACS Nano","issn_l":"1936-0851","issn":["1936-0851","1936-086X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","doyens","jufo-3","ki-jl-3","medline","norway-2","poland-200","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Nano","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1021/acsnano.6c14267","doi":"https://doi.org/10.1021/acsnano.6c14267","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acsnano.6c14267","pdf_url":null,"source":{"id":"https://openalex.org/S145476921","display_name":"ACS Nano","issn_l":"1936-0851","issn":["1936-0851","1936-086X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","doyens","jufo-3","ki-jl-3","medline","norway-2","poland-200","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Nano","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":59,"referenced_works":["https://openalex.org/W1614843501","https://openalex.org/W1967282001","https://openalex.org/W2004873002","https://openalex.org/W2050056663","https://openalex.org/W2126048094","https://openalex.org/W2132525235","https://openalex.org/W2145043078","https://openalex.org/W2216709527","https://openalex.org/W2313729235","https://openalex.org/W2314642759","https://openalex.org/W2315256488","https://openalex.org/W2515286324","https://openalex.org/W2670129164","https://openalex.org/W2763884798","https://openalex.org/W2809986560","https://openalex.org/W2892220270","https://openalex.org/W2901109410","https://openalex.org/W2913958398","https://openalex.org/W2938620684","https://openalex.org/W2958133535","https://openalex.org/W2959497612","https://openalex.org/W3018190713","https://openalex.org/W3037282667","https://openalex.org/W3042000693","https://openalex.org/W3112560187","https://openalex.org/W3135183420","https://openalex.org/W3153456181","https://openalex.org/W3182489234","https://openalex.org/W3201689294","https://openalex.org/W3217725636","https://openalex.org/W4283257447","https://openalex.org/W4289925027","https://openalex.org/W4319067290","https://openalex.org/W4382941126","https://openalex.org/W4385798009","https://openalex.org/W4387057414","https://openalex.org/W4390046312","https://openalex.org/W4400382975","https://openalex.org/W4401573198","https://openalex.org/W4402643079","https://openalex.org/W4403338872","https://openalex.org/W4404254335","https://openalex.org/W4404276219","https://openalex.org/W4404826764","https://openalex.org/W4405088197","https://openalex.org/W4408099309","https://openalex.org/W4408243627","https://openalex.org/W4408244049","https://openalex.org/W4408524415","https://openalex.org/W4409470275","https://openalex.org/W4409524489","https://openalex.org/W4409883549","https://openalex.org/W4411620023","https://openalex.org/W4411965864","https://openalex.org/W4412778714","https://openalex.org/W4416390325","https://openalex.org/W7106611439","https://openalex.org/W7154100514","https://openalex.org/W7168345724"],"related_works":[],"abstract_inverted_index":{"Abstract":[0],"Cu":[1,121],"hydride":[2,28],"nanoclusters":[3],"with":[4,76,96,227],"atomic":[5,24,209],"precision":[6],"in":[7,89,217],"composition":[8],"and":[9,15,38,47,68,110,134,160,174,198,210,265],"structure":[10],"offer":[11],"exciting":[12],"catalytic":[13],"activities":[14],"opportunities":[16],"for":[17,250,288],"rigorous":[18],"structure\u2013function":[19],"correlations.":[20],"Determination":[21],"of":[22,34,53,85,94,140,168,176,186,257],"their":[23,42,54,282],"structures,":[25],"especially":[26],"the":[27,32,51,83,86,107,115,120,161,170,177,182,187,207,232,238,276],"locations,":[29],"hinges":[30],"on":[31],"availability":[33],"high-quality":[35],"single":[36,77],"crystals":[37],"neutron":[39],"beams,":[40],"while":[41],"relatively":[43],"weak":[44],"UV\u2013visible":[45],"absorption":[46,196],"electrochemical":[48],"instability":[49],"challenge":[50],"analysis":[52],"electronic":[55,211],"properties.":[56],"Herein,":[57],"we":[58,205],"synthesize":[59],"a":[60,135,151,228,242],"Cu14H10":[61,233],"nanocluster":[62],"coordinated":[63],"by":[64],"three":[65,111],"4-mercaptobenzonitrile":[66],"(MBN)":[67],"eight":[69],"triphenylphosphine":[70],"ligands.":[71],"Two-dimensional":[72],"NMR":[73],"analyses":[74],"combined":[75,193],"crystal":[78],"X-ray":[79],"diffraction":[80],"reveal":[81],"unequivocally":[82],"locations":[84],"ten":[87],"hydrides":[88],"four":[90],"groups":[91],"(stoichiometry":[92],"ratio":[93],"1:3:3:3)":[95],"drastically":[97],"different":[98],"environments":[99],"(chemical":[100],"shifts":[101],"11\u20133":[102],"ppm):":[103],"one":[104],"H":[105],"at":[106],"inversion":[108],"center":[109],"triangular":[112],"layers":[113],"along":[114],"C3":[116],"axial":[117],"bridging":[118],"together":[119],"core.":[122],"MBN":[123,188,240],"serves":[124],"two":[125],"additional":[126],"purposes":[127],"besides":[128],"stabilizing":[129],"ligands:":[130],"its":[131,141],"electron-withdrawing":[132,239],"nature":[133,173],"highly":[136],"sensitive":[137],"vibrational":[138],"reporter":[139],"local":[142],"charge":[143,155,171,215,235],"density.":[144],"The":[145,254],"first":[146],"property":[147,163],"gives":[148],"rise":[149],"to":[150],"low-lying":[152],"Cu-core-to-MBN":[153],"metal-to-ligand":[154],"transfer":[156,172],"(MLCT)":[157],"excited":[158,179],"state,":[159],"second":[162],"enables":[164],"direct":[165],"spectroscopic":[166],"probing":[167],"both":[169],"dynamics":[175],"MLCT":[178],"state":[180],"through":[181],"dynamic":[183],"spectral":[184],"shift":[185],"CN":[189],"stretching":[190],"mode.":[191],"Through":[192],"transient":[194],"IR":[195],"spectroscopy":[197],"time-dependent":[199],"density":[200],"functional":[201],"theory":[202],"(TD-DFT)":[203],"calculations,":[204],"obtained":[206],"complete":[208],"structure,":[212],"revealing":[213],"core-to-ligand":[214],"transfers":[216],"these":[218],"nanoclusters.":[219],"Computed":[220],"under":[221],"identical":[222],"conditions":[223],"using":[224],"an":[225],"iso-structure":[226],"mildly":[229],"electron-donating":[230],"ligand,":[231],"featuring":[234],"delocalization":[236],"toward":[237],"has":[241],"smaller":[243],"HOMO\u2013LUMO":[244],"gap,":[245],"which":[246],"is":[247],"deemed":[248],"favorable":[249],"electrocatalytic":[251],"CO2":[252,290],"reduction.":[253,291],"preferential":[255],"formation":[256,274],"complex":[258],"multielectron-hydrogenation":[259],"products":[260],"(8\u201312":[261],"e\u2013,":[262],"C1":[263],"hydrocarbons,":[264],"C2+":[266],"products)":[267],"over":[268],"two-electron":[269],"pathways":[270],"such":[271],"as":[272,284],"CO":[273],"or":[275],"competing":[277],"hydrogen":[278],"evolution":[279],"reaction":[280],"highlights":[281],"promise":[283],"atomically":[285],"precise":[286],"catalysts":[287],"deep":[289]},"counts_by_year":[],"updated_date":"2026-11-11T12:16:26.678958","created_date":"2026-11-11T00:00:00"}