{"id":"https://openalex.org/W4211220140","doi":"https://doi.org/10.26434/chemrxiv-2022-t4lqn","title":"Fundamental Reaction Limitations for Formic AcidOxidation","display_name":"Fundamental Reaction Limitations for Formic AcidOxidation","publication_year":2022,"publication_date":"2022-02-11","ids":{"openalex":"https://openalex.org/W4211220140","doi":"https://doi.org/10.26434/chemrxiv-2022-t4lqn"},"language":"en","primary_location":{"id":"doi:10.26434/chemrxiv-2022-t4lqn","doi":"https://doi.org/10.26434/chemrxiv-2022-t4lqn","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2022-t4lqn","pdf_url":"https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/620622ee0c0bf09b5fe5b0b6/original/fundamental-reaction-limitations-for-formic-acid-oxidation.pdf","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/620622ee0c0bf09b5fe5b0b6/original/fundamental-reaction-limitations-for-formic-acid-oxidation.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5061339044","display_name":"Alexander Bagger","orcid":"https://orcid.org/0000-0002-6394-029X","observed_orcids":["https://orcid.org/0000-0002-6394-029X"]},"institutions":[{"id":"https://openalex.org/I124055696","display_name":"University of Copenhagen","ror":"https://ror.org/035b05819","country_code":"DK","type":"education","lineage":["https://openalex.org/I124055696"]}],"countries":["DK"],"is_corresponding":false,"raw_author_name":"Alexander Bagger","raw_affiliation_strings":["University of Copenhagen"],"raw_orcid":"https://orcid.org/0000-0002-6394-029X","affiliations":[{"raw_affiliation_string":"University of Copenhagen","institution_ids":["https://openalex.org/I124055696"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035773702","display_name":"Kim Degn Jensen","orcid":"https://orcid.org/0000-0001-7466-8458","observed_orcids":["https://orcid.org/0000-0001-7466-8458"]},"institutions":[{"id":"https://openalex.org/I124055696","display_name":"University of Copenhagen","ror":"https://ror.org/035b05819","country_code":"DK","type":"education","lineage":["https://openalex.org/I124055696"]}],"countries":["DK"],"is_corresponding":false,"raw_author_name":"Kim D. Jensen","raw_affiliation_strings":["University of Copenhagen"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Copenhagen","institution_ids":["https://openalex.org/I124055696"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090497945","display_name":"Maryam Rashedi","orcid":"https://orcid.org/0000-0002-8927-2955","observed_orcids":["https://orcid.org/0000-0002-8927-2955"]},"institutions":[{"id":"https://openalex.org/I23946033","display_name":"University of Tehran","ror":"https://ror.org/05vf56z40","country_code":"IR","type":"education","lineage":["https://openalex.org/I23946033"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Maryam Rashedi","raw_affiliation_strings":["University of Tehran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Tehran","institution_ids":["https://openalex.org/I23946033"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101934267","display_name":"Rui Luo","orcid":"https://orcid.org/0000-0002-5425-0043","observed_orcids":["https://orcid.org/0000-0002-5425-0043"]},"institutions":[{"id":"https://openalex.org/I200845125","display_name":"Nanjing University of Information Science and Technology","ror":"https://ror.org/02y0rxk19","country_code":"CN","type":"education","lineage":["https://openalex.org/I200845125"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Rui Luo","raw_affiliation_strings":["Nanjing University of Information Science and Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Nanjing University of Information Science and Technology","institution_ids":["https://openalex.org/I200845125"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100663189","display_name":"Jia Yi Du","orcid":"https://orcid.org/0000-0002-2387-1912","observed_orcids":["https://orcid.org/0000-0002-2387-1912"]},"institutions":[{"id":"https://openalex.org/I118564535","display_name":"University of Bern","ror":"https://ror.org/02k7v4d05","country_code":"CH","type":"education","lineage":["https://openalex.org/I118564535"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Jia Du","raw_affiliation_strings":["University of Bern"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Bern","institution_ids":["https://openalex.org/I118564535"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101435741","display_name":"Damin Zhang","orcid":"https://orcid.org/0000-0002-9037-6778","observed_orcids":["https://orcid.org/0000-0002-9037-6778"]},"institutions":[{"id":"https://openalex.org/I118564535","display_name":"University of Bern","ror":"https://ror.org/02k7v4d05","country_code":"CH","type":"education","lineage":["https://openalex.org/I118564535"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Damin Zhang","raw_affiliation_strings":["University of Bern"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Bern","institution_ids":["https://openalex.org/I118564535"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001584127","display_name":"In\u00eas Jord\u00e3o Pereira","orcid":"https://orcid.org/0000-0002-6992-6472","observed_orcids":["https://orcid.org/0000-0002-6992-6472"]},"institutions":[{"id":"https://openalex.org/I124055696","display_name":"University of Copenhagen","ror":"https://ror.org/035b05819","country_code":"DK","type":"education","lineage":["https://openalex.org/I124055696"]}],"countries":["DK"],"is_corresponding":false,"raw_author_name":"In\u00eas J. Pereira","raw_affiliation_strings":["University of Copenhagen"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Copenhagen","institution_ids":["https://openalex.org/I124055696"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011008334","display_name":"Mar\u00eda Escudero\u2010Escribano","orcid":"https://orcid.org/0000-0002-6432-3015","observed_orcids":["https://orcid.org/0000-0002-6432-3015"]},"institutions":[{"id":"https://openalex.org/I124055696","display_name":"University of Copenhagen","ror":"https://ror.org/035b05819","country_code":"DK","type":"education","lineage":["https://openalex.org/I124055696"]}],"countries":["DK"],"is_corresponding":false,"raw_author_name":"Mar\u00eda Escudero-Escribano","raw_affiliation_strings":["University of Copenhagen"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Copenhagen","institution_ids":["https://openalex.org/I124055696"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064384920","display_name":"Matthias Arenz","orcid":"https://orcid.org/0000-0001-9765-4315","observed_orcids":["https://orcid.org/0000-0001-9765-4315"]},"institutions":[{"id":"https://openalex.org/I118564535","display_name":"University of Bern","ror":"https://ror.org/02k7v4d05","country_code":"CH","type":"education","lineage":["https://openalex.org/I118564535"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Matthias Arenz","raw_affiliation_strings":["University of Bern"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Bern","institution_ids":["https://openalex.org/I118564535"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5083668074","display_name":"Jan Rossmeisl","orcid":"https://orcid.org/0000-0001-7749-6567","observed_orcids":["https://orcid.org/0000-0001-7749-6567"]},"institutions":[{"id":"https://openalex.org/I124055696","display_name":"University of Copenhagen","ror":"https://ror.org/035b05819","country_code":"DK","type":"education","lineage":["https://openalex.org/I124055696"]}],"countries":["DK"],"is_corresponding":false,"raw_author_name":"Jan Rossmeisl","raw_affiliation_strings":["University of Copenhagen"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Copenhagen","institution_ids":["https://openalex.org/I124055696"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":2,"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/T10030","display_name":"Electrocatalysts for Energy Conversion","score":0.9496999979019165,"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/T10030","display_name":"Electrocatalysts for Energy Conversion","score":0.9496999979019165,"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/T11784","display_name":"CO2 Reduction Techniques and Catalysts","score":0.02669999934732914,"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/T11593","display_name":"Carbon dioxide utilization in catalysis","score":0.00570000009611249,"subfield":{"id":"https://openalex.org/subfields/1508","display_name":"Process Chemistry and Technology"},"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/formic-acid-oxidation","display_name":"formic acid oxidation","score":0.9990000128746033},{"id":"https://openalex.org/keywords/electrocatalysis","display_name":"electrocatalysis","score":0.9110000133514404},{"id":"https://openalex.org/keywords/co2-reduction","display_name":"CO2 reduction","score":0.6819999814033508},{"id":"https://openalex.org/keywords/formic-acid-fuel-cells","display_name":"formic acid fuel cells","score":0.8949999809265137},{"id":"https://openalex.org/keywords/catalyst-poisoning","display_name":"catalyst poisoning","score":0.8849999904632568},{"id":"https://openalex.org/keywords/hydrogen-adsorption","display_name":"hydrogen adsorption","score":0.6690000295639038},{"id":"https://openalex.org/keywords/formate-adsorption","display_name":"formate adsorption","score":0.6650000214576721},{"id":"https://openalex.org/keywords/hydroxyl-adsorption","display_name":"hydroxyl adsorption","score":0.921999990940094},{"id":"https://openalex.org/keywords/co-disproportionation","display_name":"CO disproportionation","score":0.6949999928474426},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"reaction mechanism","score":0.7900000214576721},{"id":"https://openalex.org/keywords/renewable-energy","display_name":"renewable energy","score":0.503000020980835}],"concepts":[{"id":"https://openalex.org/C2777379063","wikidata":"https://www.wikidata.org/wiki/Q161233","display_name":"Formic acid","level":2,"score":0.9742276072502136},{"id":"https://openalex.org/C2780178953","wikidata":"https://www.wikidata.org/wiki/Q2001841","display_name":"Formate","level":3,"score":0.8117395639419556},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.7795705199241638},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7333735227584839},{"id":"https://openalex.org/C17365422","wikidata":"https://www.wikidata.org/wiki/Q664231","display_name":"Disproportionation","level":3,"score":0.6938466429710388},{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.5345757603645325},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.5029508471488953},{"id":"https://openalex.org/C55904794","wikidata":"https://www.wikidata.org/wiki/Q82682","display_name":"Redox","level":2,"score":0.5015943050384521},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.4281395375728607},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.32391536235809326},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2240942418575287}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.26434/chemrxiv-2022-t4lqn","doi":"https://doi.org/10.26434/chemrxiv-2022-t4lqn","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2022-t4lqn","pdf_url":"https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/620622ee0c0bf09b5fe5b0b6/original/fundamental-reaction-limitations-for-formic-acid-oxidation.pdf","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":{"id":"doi:10.26434/chemrxiv-2022-t4lqn","doi":"https://doi.org/10.26434/chemrxiv-2022-t4lqn","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2022-t4lqn","pdf_url":"https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/620622ee0c0bf09b5fe5b0b6/original/fundamental-reaction-limitations-for-formic-acid-oxidation.pdf","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320310490","display_name":"Villum Fonden","ror":"https://ror.org/007ww2d15"},{"id":"https://openalex.org/F4320320943","display_name":"Danmarks Grundforskningsfond","ror":"https://ror.org/00znyv691"},{"id":"https://openalex.org/F4320322725","display_name":"China Scholarship Council","ror":"https://ror.org/04atp4p48"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4211220140.pdf","grobid_xml":"https://content.openalex.org/works/W4211220140.grobid-xml"},"referenced_works_count":57,"referenced_works":["https://openalex.org/W1832197415","https://openalex.org/W1969866559","https://openalex.org/W1972669561","https://openalex.org/W1980878986","https://openalex.org/W1984552141","https://openalex.org/W1984668441","https://openalex.org/W1986653756","https://openalex.org/W1997216543","https://openalex.org/W2002511039","https://openalex.org/W2002710373","https://openalex.org/W2004900741","https://openalex.org/W2007816672","https://openalex.org/W2026354706","https://openalex.org/W2027497463","https://openalex.org/W2031212116","https://openalex.org/W2031803642","https://openalex.org/W2041511900","https://openalex.org/W2041789870","https://openalex.org/W2048331115","https://openalex.org/W2051746039","https://openalex.org/W2053978814","https://openalex.org/W2057293045","https://openalex.org/W2061367556","https://openalex.org/W2070872427","https://openalex.org/W2074964984","https://openalex.org/W2075668715","https://openalex.org/W2080475618","https://openalex.org/W2091565361","https://openalex.org/W2110501826","https://openalex.org/W2116328065","https://openalex.org/W2138818991","https://openalex.org/W2145388151","https://openalex.org/W2158926985","https://openalex.org/W2293600805","https://openalex.org/W2309795661","https://openalex.org/W2314638241","https://openalex.org/W2314642759","https://openalex.org/W2333596736","https://openalex.org/W2464035897","https://openalex.org/W2573377826","https://openalex.org/W2581619212","https://openalex.org/W2591681540","https://openalex.org/W2604945037","https://openalex.org/W2607332924","https://openalex.org/W2751014015","https://openalex.org/W2755074266","https://openalex.org/W2791707683","https://openalex.org/W2807879855","https://openalex.org/W2891789004","https://openalex.org/W2892154251","https://openalex.org/W2947264857","https://openalex.org/W2947876462","https://openalex.org/W2964386462","https://openalex.org/W3176571061","https://openalex.org/W4206704952","https://openalex.org/W4206785349","https://openalex.org/W4240976749"],"related_works":["https://openalex.org/W6947984592","https://openalex.org/W4295807421","https://openalex.org/W2748172540","https://openalex.org/W2046871992","https://openalex.org/W1991895592","https://openalex.org/W3101231477","https://openalex.org/W4224251665","https://openalex.org/W2088995101","https://openalex.org/W2159987122","https://openalex.org/W162186572"],"abstract_inverted_index":{"Electrocatalytic":[0],"conversion":[1],"of":[2,35,48,76],"formic":[3,14,26,61,77,90,117],"acid":[4,15,27,91,118],"oxidation":[5,75,92,119],"to":[6,13,69,96,131],"CO2":[7,11,56],"and":[8,50,60,102,143,173],"the":[9,33,39,46,70,74,100,103,137,164,170],"related":[10],"reduction":[12,57],"represent":[16],"a":[17,146,161],"potential":[18],"closed":[19],"carbon-loop":[20],"based":[21],"on":[22,52,83,94,99,136],"renewable":[23],"energy.":[24],"However,":[25],"fuel":[28],"cells":[29],"are":[30,152],"inhibited":[31],"by":[32,154],"formation":[34,142],"poisoning":[36,144],"species":[37],"during":[38],"reaction.":[40],"Recent":[41],"studies":[42],"have":[43,86],"elucidated":[44],"how":[45],"binding":[47],"carbon":[49],"hydrogen":[51],"catalyst":[53],"surfaces":[54],"promote":[55],"towards":[58],"CO":[59],"acid.":[62,78],"This":[63],"has":[64,166],"also":[65],"given":[66],"fundamental":[67,171],"insights":[68],"reverse":[71],"reaction,":[72],"i.e.":[73],"In":[79],"this":[80],"work,":[81],"simulations":[82],"multiple":[84],"materials":[85],"been":[87,167],"combined":[88],"with":[89],"experiments":[93],"electrocatalysts":[95],"shed":[97],"light":[98],"reaction":[101,114,165],"accompanying":[104],"catalytic":[105],"limitations.":[106],"We":[107],"found":[108],"that:":[109],"(i)":[110],"The":[111],"desired":[112],"principal":[113],"for":[115,163],"efficient":[116],"should":[120,127],"progress":[121],"through":[122,145],"adsorbed":[123,135],"carboxyl,":[124],"*COOH,":[125],"which":[126],"then":[128],"be":[129],"oxidized":[130],"CO2.":[132],"(ii)":[133],"*H":[134],"surface":[138],"results":[139],"in":[140],"*CO":[141],"chemical":[147],"disproportionation":[148],"step.":[149],"(iii)":[150],"Catalysts":[151],"poisoned":[153],"formate":[155],"and/or":[156],"hydroxyl.":[157],"Using":[158],"these":[159],"results,":[160],"framework":[162],"developed":[168],"explaining":[169],"limitations":[172],"progressing":[174],"our":[175],"understanding.":[176]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1}],"updated_date":"2026-11-09T13:22:03.289127","created_date":"2022-02-13T00:00:00"}