{"id":"https://openalex.org/W7124152575","doi":"https://doi.org/10.1002/cctc.202501268","title":"Electrocatalytic Reduction of NO on the MnN 4 Single\u2010Atom Catalyst Interfacing With Metal Supports: A First\u2010Principles Study","display_name":"Electrocatalytic Reduction of NO on the MnN 4 Single\u2010Atom Catalyst Interfacing With Metal Supports: A First\u2010Principles Study","publication_year":2026,"publication_date":"2026-01-01","ids":{"openalex":"https://openalex.org/W7124152575","doi":"https://doi.org/10.1002/cctc.202501268"},"language":"en","primary_location":{"id":"doi:10.1002/cctc.202501268","doi":"https://doi.org/10.1002/cctc.202501268","is_oa":false,"landing_page_url":"https://doi.org/10.1002/cctc.202501268","pdf_url":null,"source":{"id":"https://openalex.org/S206633562","display_name":"ChemCatChem","issn_l":"1867-3880","issn":["1867-3880","1867-3899"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ChemCatChem","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W7124152575"],"child_works_count":0,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5002560427","display_name":"Suhang Li","orcid":"https://orcid.org/0000-0002-1643-8520","observed_orcids":["https://orcid.org/0000-0002-1643-8520"]},"institutions":[{"id":"https://openalex.org/I165859042","display_name":"Huaibei Normal University","ror":"https://ror.org/03ek23472","country_code":"CN","type":"education","lineage":["https://openalex.org/I165859042"]},{"id":"https://openalex.org/I173899330","display_name":"Henan University","ror":"https://ror.org/003xyzq10","country_code":"CN","type":"education","lineage":["https://openalex.org/I173899330"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Suhang Li","raw_affiliation_strings":["Henan Key Laboratory of Quantum Materials and Quantum Energy School of Future Technology Henan University  Zhengzhou China","School of Physics and Electronic Information Huaibei Normal University  Huaibei China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Henan Key Laboratory of Quantum Materials and Quantum Energy School of Future Technology Henan University  Zhengzhou China","institution_ids":["https://openalex.org/I173899330"]},{"raw_affiliation_string":"School of Physics and Electronic Information Huaibei Normal University  Huaibei China","institution_ids":["https://openalex.org/I165859042"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5123008255","display_name":"Jiahang Li","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I165859042","display_name":"Huaibei Normal University","ror":"https://ror.org/03ek23472","country_code":"CN","type":"education","lineage":["https://openalex.org/I165859042"]},{"id":"https://openalex.org/I173899330","display_name":"Henan University","ror":"https://ror.org/003xyzq10","country_code":"CN","type":"education","lineage":["https://openalex.org/I173899330"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jiahang Li","raw_affiliation_strings":["Henan Key Laboratory of Quantum Materials and Quantum Energy School of Future Technology Henan University  Zhengzhou China","School of Physics and Electronic Information Huaibei Normal University  Huaibei China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Henan Key Laboratory of Quantum Materials and Quantum Energy School of Future Technology Henan University  Zhengzhou China","institution_ids":["https://openalex.org/I173899330"]},{"raw_affiliation_string":"School of Physics and Electronic Information Huaibei Normal University  Huaibei China","institution_ids":["https://openalex.org/I165859042"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5122993680","display_name":"Chong Yan","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I165859042","display_name":"Huaibei Normal University","ror":"https://ror.org/03ek23472","country_code":"CN","type":"education","lineage":["https://openalex.org/I165859042"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chong Yan","raw_affiliation_strings":["School of Physics and Electronic Information Huaibei Normal University  Huaibei China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics and Electronic Information Huaibei Normal University  Huaibei China","institution_ids":["https://openalex.org/I165859042"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038093977","display_name":"Q. C. Liu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I165859042","display_name":"Huaibei Normal University","ror":"https://ror.org/03ek23472","country_code":"CN","type":"education","lineage":["https://openalex.org/I165859042"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qinzhuang Liu","raw_affiliation_strings":["School of Physics and Electronic Information Huaibei Normal University  Huaibei China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics and Electronic Information Huaibei Normal University  Huaibei China","institution_ids":["https://openalex.org/I165859042"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048311643","display_name":"Feijiu Wang","orcid":"https://orcid.org/0000-0003-3139-1086","observed_orcids":["https://orcid.org/0000-0003-3139-1086"]},"institutions":[{"id":"https://openalex.org/I173899330","display_name":"Henan University","ror":"https://ror.org/003xyzq10","country_code":"CN","type":"education","lineage":["https://openalex.org/I173899330"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Feijiu Wang","raw_affiliation_strings":["Henan Key Laboratory of Quantum Materials and Quantum Energy School of Future Technology Henan University  Zhengzhou China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Henan Key Laboratory of Quantum Materials and Quantum Energy School of Future Technology Henan University  Zhengzhou China","institution_ids":["https://openalex.org/I173899330"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5021920612","display_name":"Dongwei Ma","orcid":"https://orcid.org/0000-0002-3690-6408","observed_orcids":["https://orcid.org/0000-0002-3690-6408"]},"institutions":[{"id":"https://openalex.org/I165859042","display_name":"Huaibei Normal University","ror":"https://ror.org/03ek23472","country_code":"CN","type":"education","lineage":["https://openalex.org/I165859042"]},{"id":"https://openalex.org/I173899330","display_name":"Henan University","ror":"https://ror.org/003xyzq10","country_code":"CN","type":"education","lineage":["https://openalex.org/I173899330"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Dongwei Ma","raw_affiliation_strings":["Henan Key Laboratory of Quantum Materials and Quantum Energy School of Future Technology Henan University  Zhengzhou China","School of Physics and Electronic Information Huaibei Normal University  Huaibei China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Henan Key Laboratory of Quantum Materials and Quantum Energy School of Future Technology Henan University  Zhengzhou China","institution_ids":["https://openalex.org/I173899330"]},{"raw_affiliation_string":"School of Physics and Electronic Information Huaibei Normal University  Huaibei China","institution_ids":["https://openalex.org/I165859042"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5021920612","https://openalex.org/A5048311643"],"corresponding_institution_ids":["https://openalex.org/I165859042","https://openalex.org/I173899330"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":1.7202,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.78579223,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":96},"biblio":{"volume":"18","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12112","display_name":"Ammonia Synthesis and Nitrogen Reduction","score":0.73580002784729,"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"}},"topics":[{"id":"https://openalex.org/T12112","display_name":"Ammonia Synthesis and Nitrogen Reduction","score":0.73580002784729,"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"}},{"id":"https://openalex.org/T10030","display_name":"Electrocatalysts for Energy Conversion","score":0.21220000088214874,"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/T10192","display_name":"Catalytic Processes in Materials Science","score":0.026100000366568565,"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/metal-support-interface","display_name":"metal-support interface","score":0.8510000109672546},{"id":"https://openalex.org/keywords/pyridinic-nitrogen","display_name":"pyridinic nitrogen","score":0.6439999938011169},{"id":"https://openalex.org/keywords/graphene-supported-catalysts","display_name":"graphene-supported catalysts","score":0.7789999842643738},{"id":"https://openalex.org/keywords/ammonia-synthesis","display_name":"ammonia synthesis","score":0.8040000200271606},{"id":"https://openalex.org/keywords/potential-determining-step","display_name":"potential-determining step","score":0.8740000128746033},{"id":"https://openalex.org/keywords/symbolic-regression","display_name":"symbolic regression","score":0.5809999704360962},{"id":"https://openalex.org/keywords/spin-magnetic-moment","display_name":"spin magnetic moment","score":0.6890000104904175},{"id":"https://openalex.org/keywords/interfacial-electronic-modulation","display_name":"interfacial electronic modulation","score":0.8889999985694885}],"concepts":[{"id":"https://openalex.org/C2776303644","wikidata":"https://www.wikidata.org/wiki/Q1020499","display_name":"Interfacing","level":2,"score":0.6962000131607056},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.6265000104904175},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.5367000102996826},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5259000062942505},{"id":"https://openalex.org/C2779851234","wikidata":"https://www.wikidata.org/wiki/Q50690","display_name":"Oxide","level":2,"score":0.5117999911308289},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.4616999924182892},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.43299999833106995},{"id":"https://openalex.org/C111335779","wikidata":"https://www.wikidata.org/wiki/Q3454686","display_name":"Reduction (mathematics)","level":2,"score":0.39660000801086426},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.3928999900817871},{"id":"https://openalex.org/C53105671","wikidata":"https://www.wikidata.org/wiki/Q14777816","display_name":"Rational design","level":2,"score":0.36899998784065247},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.3424000144004822},{"id":"https://openalex.org/C179254644","wikidata":"https://www.wikidata.org/wiki/Q13222844","display_name":"Moment (physics)","level":2,"score":0.3328999876976013},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.3294999897480011},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.32580000162124634},{"id":"https://openalex.org/C52859227","wikidata":"https://www.wikidata.org/wiki/Q7877","display_name":"Electrochemistry","level":3,"score":0.3215000033378601},{"id":"https://openalex.org/C33276779","wikidata":"https://www.wikidata.org/wiki/Q1943363","display_name":"Design elements and principles","level":2,"score":0.30790001153945923},{"id":"https://openalex.org/C27501479","wikidata":"https://www.wikidata.org/wiki/Q428069","display_name":"Intermetallic","level":3,"score":0.30469998717308044},{"id":"https://openalex.org/C188198153","wikidata":"https://www.wikidata.org/wiki/Q1613840","display_name":"Limiting","level":2,"score":0.27250000834465027},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.27129998803138733},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.2678000032901764},{"id":"https://openalex.org/C54553102","wikidata":"https://www.wikidata.org/wiki/Q242657","display_name":"Magnetic moment","level":2,"score":0.26460000872612},{"id":"https://openalex.org/C30080830","wikidata":"https://www.wikidata.org/wiki/Q169917","display_name":"Graphene","level":2,"score":0.26190000772476196},{"id":"https://openalex.org/C181258405","wikidata":"https://www.wikidata.org/wiki/Q3961934","display_name":"Ammonia production","level":3,"score":0.2551000118255615},{"id":"https://openalex.org/C106487976","wikidata":"https://www.wikidata.org/wiki/Q685816","display_name":"Matrix (chemical analysis)","level":2,"score":0.2506999969482422}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/cctc.202501268","doi":"https://doi.org/10.1002/cctc.202501268","is_oa":false,"landing_page_url":"https://doi.org/10.1002/cctc.202501268","pdf_url":null,"source":{"id":"https://openalex.org/S206633562","display_name":"ChemCatChem","issn_l":"1867-3880","issn":["1867-3880","1867-3899"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ChemCatChem","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G7580703051","display_name":null,"funder_award_id":"12174086","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":68,"referenced_works":["https://openalex.org/W1970127494","https://openalex.org/W2020023668","https://openalex.org/W2035930650","https://openalex.org/W2036113194","https://openalex.org/W2083222334","https://openalex.org/W2088043604","https://openalex.org/W2092157292","https://openalex.org/W2115234257","https://openalex.org/W2124096933","https://openalex.org/W2167035995","https://openalex.org/W2326354091","https://openalex.org/W2507813663","https://openalex.org/W2786709116","https://openalex.org/W2791384216","https://openalex.org/W2803427589","https://openalex.org/W2803438242","https://openalex.org/W2810294304","https://openalex.org/W2888127284","https://openalex.org/W2911964244","https://openalex.org/W2920912088","https://openalex.org/W2923015936","https://openalex.org/W2964028581","https://openalex.org/W2981578248","https://openalex.org/W2990272012","https://openalex.org/W2993510745","https://openalex.org/W3010225030","https://openalex.org/W3010719489","https://openalex.org/W3042561492","https://openalex.org/W3081972723","https://openalex.org/W3095346533","https://openalex.org/W3111953670","https://openalex.org/W3154334064","https://openalex.org/W3160702750","https://openalex.org/W3164221557","https://openalex.org/W3177537043","https://openalex.org/W3183333374","https://openalex.org/W3206606417","https://openalex.org/W3206648468","https://openalex.org/W3213757777","https://openalex.org/W4206269059","https://openalex.org/W4220995518","https://openalex.org/W4224222060","https://openalex.org/W4228998615","https://openalex.org/W4283511070","https://openalex.org/W4285112235","https://openalex.org/W4288772852","https://openalex.org/W4289170347","https://openalex.org/W4307447041","https://openalex.org/W4320710393","https://openalex.org/W4320727642","https://openalex.org/W4321180194","https://openalex.org/W4362552886","https://openalex.org/W4384120829","https://openalex.org/W4386067119","https://openalex.org/W4387885290","https://openalex.org/W4388946799","https://openalex.org/W4389938275","https://openalex.org/W4390202089","https://openalex.org/W4391131022","https://openalex.org/W4391214357","https://openalex.org/W4395669078","https://openalex.org/W4396895540","https://openalex.org/W4400198792","https://openalex.org/W4400672156","https://openalex.org/W4405467038","https://openalex.org/W4405565286","https://openalex.org/W4407292269","https://openalex.org/W4409538585"],"related_works":["https://openalex.org/W4413682798","https://openalex.org/W4387318045","https://openalex.org/W4389778541","https://openalex.org/W4407696846","https://openalex.org/W4407694693","https://openalex.org/W4405467038","https://openalex.org/W7212084640","https://openalex.org/W4407292269","https://openalex.org/W7214124870","https://openalex.org/W4404599942"],"abstract_inverted_index":{"ABSTRACT":[0],"The":[1],"electrocatalytic":[2],"nitric":[3],"oxide":[4],"reduction":[5],"reaction":[6],"(NORR)":[7],"presents":[8],"a":[9,28,39,80,191],"promising":[10],"route":[11],"for":[12,215],"sustainable":[13],"ammonia":[14],"production.":[15],"Transition":[16],"metal":[17,96,103],"(TM)":[18],"single":[19],"atoms":[20,26],"coordinated":[21],"with":[22,54,137,154,174],"four":[23],"pyridinic":[24],"nitrogen":[25],"in":[27,62],"carbon":[29],"matrix":[30],"(denoted":[31],"as":[32,38,133,182,200],"TMN":[33,51],"4":[34,52,90,120],"\u2013C)":[35],"have":[36],"emerged":[37],"vital":[40],"class":[41],"of":[42,84,147,168,178,219],"single\u2010atom":[43,223],"catalysts":[44],"(SACs).":[45],"Recent":[46],"studies":[47],"shown":[48],"that":[49,102],"interfacing":[50],"\u2013C":[53,91],"TM":[55],"surfaces":[56],"can":[57,70],"significantly":[58],"boost":[59],"catalytic":[60],"performance":[61],"several":[63],"reactions.":[64],"However,":[65],"whether":[66],"such":[67],"interfacial":[68,211],"strategies":[69,214],"similarly":[71],"enhance":[72],"NORR":[73,86,109,221],"activity":[74],"remains":[75],"unclear.":[76],"Herein,":[77],"we":[78],"present":[79],"comprehensive":[81],"theoretical":[82],"investigation":[83],"the":[85,88,112,128,134,138,142,159,169,175,179,197,201,216],"on":[87,94],"MnN":[89,119],"SACs":[92],"supported":[93],"various":[95],"substrates.":[97],"Constant\u2010potential":[98],"first\u2010principles":[99],"calculations":[100],"reveal":[101],"supports,":[104],"particularly":[105],"Ag(111),":[106],"markedly":[107],"improve":[108],"performance,":[110],"reducing":[111],"limiting":[113],"potential":[114],"from":[115],"\u20130.69":[116],"V":[117],"(free\u2010standing":[118],"\u2013G)":[121],"to":[122],"\u20130.39":[123],"V.":[124],"Mechanistic":[125],"analysis":[126,152],"identifies":[127],"*NO":[129],"\u2192":[130],"*NHO":[131],"step":[132],"potential\u2010determining":[135],"step,":[136],"metal\u2013support":[139],"interface":[140],"modulating":[141],"binding":[143],"strength":[144],"and":[145,163,196],"activation":[146,203],"NO":[148,195],"intermediates.":[149],"Electronic":[150],"structure":[151],"combined":[153],"SISSO\u2010based":[155],"symbolic":[156],"regression":[157],"highlights":[158],"spin":[160],"magnetic":[161],"moment":[162],"dz":[164],"2":[165],"\u2010band":[166],"center":[167,199],"Mn":[170,198],"active":[171],"center,":[172],"along":[173],"total":[176],"charge":[177],"entire":[180],"system,":[181],"key":[183],"factors":[184],"controlling":[185],"activity.":[186],"Bonding":[187],"analyses":[188],"further":[189],"confirm":[190],"donation\u2013backdonation":[192],"interaction":[193],"between":[194],"underlying":[202],"mechanism.":[204],"This":[205],"work":[206],"provides":[207],"fundamental":[208],"insights":[209],"into":[210],"electronic":[212],"modulation":[213],"rational":[217],"design":[218],"high\u2010performance":[220],"graphene\u2010based":[222],"electrocatalysts.":[224]},"counts_by_year":[{"year":2026,"cited_by_count":2}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2026-01-15T00:00:00"}