{"id":"https://openalex.org/W4415836680","doi":"https://doi.org/10.26434/chemrxiv-2025-0ngnn","title":"CO2 Electroreduction on Borated Copper Surfaces: Boron Active Sites, not Copper","display_name":"CO2 Electroreduction on Borated Copper Surfaces: Boron Active Sites, not Copper","publication_year":2025,"publication_date":"2025-11-03","ids":{"openalex":"https://openalex.org/W4415836680","doi":"https://doi.org/10.26434/chemrxiv-2025-0ngnn"},"language":"en","primary_location":{"id":"doi:10.26434/chemrxiv-2025-0ngnn","doi":"https://doi.org/10.26434/chemrxiv-2025-0ngnn","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2025-0ngnn","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-0ngnn","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"volume":null,"type":"preprint","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-0ngnn","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5038758069","display_name":"Anubhav Goswami","orcid":"https://orcid.org/0009-0001-8910-0280","observed_orcids":["https://orcid.org/0009-0001-8910-0280"]},"institutions":[{"id":"https://openalex.org/I161318765","display_name":"University of California, Los Angeles","ror":"https://ror.org/046rm7j60","country_code":"US","type":"education","lineage":["https://openalex.org/I161318765"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Anubhav Goswami","raw_affiliation_strings":["University of California, Los Angeles"],"raw_orcid":"https://orcid.org/0009-0001-8910-0280","affiliations":[{"raw_affiliation_string":"University of California, Los Angeles","institution_ids":["https://openalex.org/I161318765"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004503548","display_name":"Zisheng Zhang","orcid":"https://orcid.org/0000-0002-4370-4038","observed_orcids":["https://orcid.org/0000-0002-4370-4038"]},"institutions":[{"id":"https://openalex.org/I161318765","display_name":"University of California, Los Angeles","ror":"https://ror.org/046rm7j60","country_code":"US","type":"education","lineage":["https://openalex.org/I161318765"]},{"id":"https://openalex.org/I2801935854","display_name":"SLAC National Accelerator Laboratory","ror":"https://ror.org/05gzmn429","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I2801935854","https://openalex.org/I39565521","https://openalex.org/I97018004"]},{"id":"https://openalex.org/I97018004","display_name":"Stanford University","ror":"https://ror.org/00f54p054","country_code":"US","type":"education","lineage":["https://openalex.org/I97018004"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zisheng Zhang","raw_affiliation_strings":["SLAC National Accelerator Laboratory","Stanford University","University of California, Los Angeles"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SLAC National Accelerator Laboratory","institution_ids":["https://openalex.org/I2801935854"]},{"raw_affiliation_string":"Stanford University","institution_ids":["https://openalex.org/I97018004"]},{"raw_affiliation_string":"University of California, Los Angeles","institution_ids":["https://openalex.org/I161318765"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5000151397","display_name":"Anastassia N. Alexandrova","orcid":"https://orcid.org/0000-0002-3003-1911","observed_orcids":["https://orcid.org/0000-0002-3003-1911"]},"institutions":[{"id":"https://openalex.org/I161318765","display_name":"University of California, Los Angeles","ror":"https://ror.org/046rm7j60","country_code":"US","type":"education","lineage":["https://openalex.org/I161318765"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Anastassia Alexandrova","raw_affiliation_strings":["University of California, Los Angeles"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of California, Los Angeles","institution_ids":["https://openalex.org/I161318765"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"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/T11784","display_name":"CO2 Reduction Techniques and Catalysts","score":1.0,"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"}},"topics":[{"id":"https://openalex.org/T11784","display_name":"CO2 Reduction Techniques and Catalysts","score":1.0,"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"}},{"id":"https://openalex.org/T10030","display_name":"Electrocatalysts for Energy Conversion","score":0.0,"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"}},{"id":"https://openalex.org/T10495","display_name":"Catalysts for Methane Reforming","score":0.0,"subfield":{"id":"https://openalex.org/subfields/1503","display_name":"Catalysis"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/electrochemical-co2-reduction","display_name":"electrochemical CO2 reduction","score":0.9890000224113464},{"id":"https://openalex.org/keywords/electrochemical-co-reduction","display_name":"CO electroreduction","score":0.7210000157356262},{"id":"https://openalex.org/keywords/c2-selectivity","display_name":"C2 selectivity","score":0.6850000023841858},{"id":"https://openalex.org/keywords/c-c-coupling","display_name":"C\u2013C coupling","score":0.7739999890327454},{"id":"https://openalex.org/keywords/surface-reconstruction","display_name":"surface reconstruction","score":0.7400000095367432},{"id":"https://openalex.org/keywords/grand-canonical-ensemble","display_name":"grand canonical ensemble","score":0.7940000295639038},{"id":"https://openalex.org/keywords/electrode-potential-dependence","display_name":"electrode potential dependence","score":0.5230000019073486},{"id":"https://openalex.org/keywords/electrolyte-ph","display_name":"electrolyte pH","score":0.5839999914169312},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"reaction mechanism","score":0.43700000643730164}],"concepts":[{"id":"https://openalex.org/C544778455","wikidata":"https://www.wikidata.org/wiki/Q753","display_name":"Copper","level":2,"score":0.8546000123023987},{"id":"https://openalex.org/C2776723582","wikidata":"https://www.wikidata.org/wiki/Q419302","display_name":"Boride","level":2,"score":0.7782999873161316},{"id":"https://openalex.org/C33989665","wikidata":"https://www.wikidata.org/wiki/Q5357962","display_name":"Electrocatalyst","level":4,"score":0.6930000185966492},{"id":"https://openalex.org/C52859227","wikidata":"https://www.wikidata.org/wiki/Q7877","display_name":"Electrochemistry","level":3,"score":0.6906999945640564},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.640999972820282},{"id":"https://openalex.org/C501308230","wikidata":"https://www.wikidata.org/wiki/Q618","display_name":"Boron","level":2,"score":0.6204000115394592},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.5662000179290771},{"id":"https://openalex.org/C68801617","wikidata":"https://www.wikidata.org/wiki/Q162908","display_name":"Electrolyte","level":3,"score":0.47369998693466187},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4690999984741211},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4375999867916107},{"id":"https://openalex.org/C118792377","wikidata":"https://www.wikidata.org/wiki/Q108584245","display_name":"Selectivity","level":3,"score":0.4083000123500824},{"id":"https://openalex.org/C17525397","wikidata":"https://www.wikidata.org/wiki/Q176140","display_name":"Electrode","level":2,"score":0.3865000009536743},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.3808000087738037},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.3221000134944916},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.28870001435279846}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.26434/chemrxiv-2025-0ngnn","doi":"https://doi.org/10.26434/chemrxiv-2025-0ngnn","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2025-0ngnn","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-0ngnn","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":{"id":"doi:10.26434/chemrxiv-2025-0ngnn","doi":"https://doi.org/10.26434/chemrxiv-2025-0ngnn","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2025-0ngnn","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-0ngnn","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G122673668","display_name":null,"funder_award_id":"DE\u2013AC02\u201305CH11231","funder_id":"https://openalex.org/F4320317220","funder_display_name":"National Energy Research Scientific Computing Center"},{"id":"https://openalex.org/G1286236842","display_name":null,"funder_award_id":"-AC02-05CH11231","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G1286251239","display_name":null,"funder_award_id":"DE-AC02","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G1677143136","display_name":null,"funder_award_id":"05CH11231","funder_id":"https://openalex.org/F4320317220","funder_display_name":"National Energy Research Scientific Computing Center"},{"id":"https://openalex.org/G2618837358","display_name":null,"funder_award_id":"05CH11231","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G30714459","display_name":null,"funder_award_id":"DE-AC02-05CH11231.","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G419881185","display_name":null,"funder_award_id":"DEAC02\u201305CH11231","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G42916606","display_name":null,"funder_award_id":"DE AC02 05CH11231","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G4501827968","display_name":null,"funder_award_id":"AC02-05CH11231","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G498139845","display_name":null,"funder_award_id":"DE-AC02","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G5076365615","display_name":null,"funder_award_id":"AC02-05CH11231","funder_id":"https://openalex.org/F4320317220","funder_display_name":"National Energy Research Scientific Computing Center"},{"id":"https://openalex.org/G6231004316","display_name":null,"funder_award_id":"DE-SC0023427","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G650090426","display_name":null,"funder_award_id":"AC02\u201305CH11231","funder_id":"https://openalex.org/F4320337480","funder_display_name":"Basic Energy Sciences"},{"id":"https://openalex.org/G6652958823","display_name":null,"funder_award_id":"05CH11231","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320317220","display_name":"National Energy Research Scientific Computing Center","ror":"https://ror.org/05v3mvq14"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320333021","display_name":"Stanford Precourt Institute for Energy","ror":null},{"id":"https://openalex.org/F4320337480","display_name":"Basic Energy Sciences","ror":"https://ror.org/05mg91w61"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4415836680.pdf","grobid_xml":"https://content.openalex.org/works/W4415836680.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4388680944","https://openalex.org/W4416094897","https://openalex.org/W2883336409","https://openalex.org/W3118071688","https://openalex.org/W4385543742","https://openalex.org/W4362475623","https://openalex.org/W3030723647","https://openalex.org/W4387757352","https://openalex.org/W4416568897","https://openalex.org/W3095682767"],"abstract_inverted_index":{"Boron-doped":[0],"copper":[1,34,116,126,159],"has":[2],"recently":[3],"emerged":[4],"as":[5],"an":[6],"active":[7],"and":[8,48,63,88,103,128],"stable":[9],"catalyst":[10,77],"for":[11],"the":[12,41,52,56,98,114,157,169],"electrochemical":[13],"reduction":[14],"of":[15,27,33,43,55,74,131,140,173],"CO2":[16],"to":[17,66,120,145,163],"value-added":[18],"C2":[19,104,171],"products.":[20],"Here,":[21],"we":[22],"develop":[23],"a":[24,68,136],"realistic":[25],"model":[26],"CO":[28,122,132],"electroreduction":[29,133],"on":[30,113,156],"surface":[31,58,81,115,158],"borides":[32],"under":[35,106],"operational":[36],"conditions,":[37],"taking":[38],"into":[39],"account":[40],"effects":[42],"electrode":[44],"potential,":[45],"electrolyte":[46],"environment,":[47],"pH.":[49],"We":[50],"study":[51],"possible":[53],"reconstruction":[54],"electrocatalyst":[57],"using":[59],"grand":[60,70],"canonical":[61,71],"DFT":[62],"global":[64],"optimization":[65],"obtain":[67],"potential-dependent":[69],"ensemble":[72],"description":[73],"metastable,":[75],"hydrogen-covered":[76],"surfaces.":[78],"Two":[79],"key":[80],"configurations,":[82],"low":[83],"H-coverage":[84,90],"(LC,":[85],"-0.6":[86],"VSHE)":[87,93],"high":[89,170],"(HC,":[91],"-0.8":[92],"dominate":[94],"this":[95,174],"ensemble,":[96],"with":[97],"former":[99],"being":[100],"kinetically":[101],"persistent":[102],"selective":[105],"strongly":[107,124],"reducing":[108],"conditions.":[109],"Nonmetallic":[110],"boron":[111,150,154],"sites":[112,151],"boride":[117,160],"are":[118,161],"found":[119,162],"bind":[121],"more":[123],"than":[125],"sites,":[127],"mechanistic":[129],"investigation":[130],"pathways":[134],"presents":[135],"surprisingly":[137],"unconventional":[138],"case":[139],"boron-centered":[141],"reactivity":[142],"in":[143],"contrast":[144],"typical":[146],"copper-centered":[147],"reactivity.":[148],"Neighboring":[149],"present":[152],"along":[153],"chains":[155],"facilitate":[164],"C\u2013C":[165],"coupling,":[166],"thereby":[167],"driving":[168],"selectivity":[172],"electrocatalyst.":[175]},"counts_by_year":[],"updated_date":"2026-10-28T10:33:24.094632","created_date":"2025-11-04T00:00:00"}
