{"id":"https://openalex.org/W7225430882","doi":"https://doi.org/10.1021/acs.jpcc.6c05164","title":"Single-Atom-Intermediated Raman Activation (SAIRA) Mechanism on Pyridine-Adsorbed Au/g-C3N4 and Periodic Trends from a 30 d-Block Element Screening","display_name":"Single-Atom-Intermediated Raman Activation (SAIRA) Mechanism on Pyridine-Adsorbed Au/g-C3N4 and Periodic Trends from a 30 d-Block Element Screening","publication_year":2026,"publication_date":"2026-11-06","ids":{"openalex":"https://openalex.org/W7225430882","doi":"https://doi.org/10.1021/acs.jpcc.6c05164"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jpcc.6c05164","doi":"https://doi.org/10.1021/acs.jpcc.6c05164","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jpcc.6c05164","pdf_url":"https://pubs.acs.org/jpccck/article-pdf/doi/10.1021/acs.jpcc.6c05164/69111216/acs.jpcc.6c05164.pdf","source":{"id":"https://openalex.org/S95739953","display_name":"The Journal of Physical Chemistry C","issn_l":"1932-7447","issn":["1932-7447","1932-7455"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-2","ki-jl-1","norway-1","poland-140","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-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry C","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://pubs.acs.org/jpccck/article-pdf/doi/10.1021/acs.jpcc.6c05164/69111216/acs.jpcc.6c05164.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5031003395","display_name":"Musashi Fujishima","orcid":"https://orcid.org/0009-0002-2770-0130","observed_orcids":["https://orcid.org/0009-0002-2770-0130"]},"institutions":[{"id":"https://openalex.org/I916559398","display_name":"Kindai University","ror":"https://ror.org/05kt9ap64","country_code":"JP","type":"education","lineage":["https://openalex.org/I916559398"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Musashi Fujishima","raw_affiliation_strings":["Kindai University , , 3-4-1, Kowakae , , ,"],"raw_orcid":"https://orcid.org/0009-0002-2770-0130","affiliations":[{"raw_affiliation_string":"Kindai University , , 3-4-1, Kowakae , , ,","institution_ids":["https://openalex.org/I916559398"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5161139456","display_name":"Taichi Kiuchi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I916559398","display_name":"Kindai University","ror":"https://ror.org/05kt9ap64","country_code":"JP","type":"education","lineage":["https://openalex.org/I916559398"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Taichi Kiuchi","raw_affiliation_strings":["Kindai University , , 3-4-1, Kowakae , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Kindai University , , 3-4-1, Kowakae , , ,","institution_ids":["https://openalex.org/I916559398"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5031003395"],"corresponding_institution_ids":["https://openalex.org/I916559398"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":{"value":4500,"currency":"USD","value_usd":4500},"fwci":0.0,"has_fulltext":true,"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/T10131","display_name":"Gold and Silver Nanoparticles Synthesis and Applications","score":0.9818999767303467,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T10131","display_name":"Gold and Silver Nanoparticles Synthesis and Applications","score":0.9818999767303467,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.003000000026077032,"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/T10295","display_name":"Plasmonic and Surface Plasmon Research","score":0.002400000113993883,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/surface-enhanced-raman-scattering","display_name":"surface-enhanced Raman scattering","score":0.9100000262260437},{"id":"https://openalex.org/keywords/single-atom-catalysts","display_name":"single-atom catalysts","score":0.8059999942779541},{"id":"https://openalex.org/keywords/gold-single-atoms","display_name":"gold single atoms","score":0.7680000066757202},{"id":"https://openalex.org/keywords/graphitic-carbon-nitride","display_name":"graphitic carbon nitride","score":0.9100000262260437},{"id":"https://openalex.org/keywords/pyridine-adsorption","display_name":"pyridine adsorption","score":0.9950000047683716},{"id":"https://openalex.org/keywords/raman-enhancement-mechanism","display_name":"Raman enhancement mechanism","score":0.8389999866485596},{"id":"https://openalex.org/keywords/interfacial-charge-transfer","display_name":"interfacial charge transfer","score":0.8429999947547913},{"id":"https://openalex.org/keywords/orbital-hybridization","display_name":"orbital hybridization","score":0.9259999990463257},{"id":"https://openalex.org/keywords/periodic-trends","display_name":"periodic trends","score":0.5540000200271606},{"id":"https://openalex.org/keywords/d-block-elements","display_name":"d-block elements","score":0.8569999933242798}],"concepts":[{"id":"https://openalex.org/C40003534","wikidata":"https://www.wikidata.org/wiki/Q862228","display_name":"Raman spectroscopy","level":2,"score":0.7562999725341797},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.6895999908447266},{"id":"https://openalex.org/C169573571","wikidata":"https://www.wikidata.org/wiki/Q466824","display_name":"Raman scattering","level":3,"score":0.5824000239372253},{"id":"https://openalex.org/C63479239","wikidata":"https://www.wikidata.org/wiki/Q7353546","display_name":"Robustness (evolution)","level":3,"score":0.5565999746322632},{"id":"https://openalex.org/C53105671","wikidata":"https://www.wikidata.org/wiki/Q14777816","display_name":"Rational design","level":2,"score":0.5199999809265137},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.490200012922287},{"id":"https://openalex.org/C205049153","wikidata":"https://www.wikidata.org/wiki/Q2698605","display_name":"Polarization (electrochemistry)","level":2,"score":0.47350001335144043},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4194999933242798},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3889000117778778},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.3734000027179718},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.36169999837875366},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.36000001430511475},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.35260000824928284},{"id":"https://openalex.org/C185798385","wikidata":"https://www.wikidata.org/wiki/Q1161707","display_name":"Benchmark (surveying)","level":2,"score":0.3515999913215637},{"id":"https://openalex.org/C2780385302","wikidata":"https://www.wikidata.org/wiki/Q367158","display_name":"Protocol (science)","level":3,"score":0.3379000127315521},{"id":"https://openalex.org/C89611455","wikidata":"https://www.wikidata.org/wiki/Q6804646","display_name":"Mechanism (biology)","level":2,"score":0.33079999685287476},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.30399999022483826},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.289900004863739},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2840999960899353},{"id":"https://openalex.org/C33276779","wikidata":"https://www.wikidata.org/wiki/Q1943363","display_name":"Design elements and principles","level":2,"score":0.2799000144004822},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.2703000009059906},{"id":"https://openalex.org/C191486275","wikidata":"https://www.wikidata.org/wiki/Q210028","display_name":"Scattering","level":2,"score":0.2646999955177307},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.2565999925136566},{"id":"https://openalex.org/C70050531","wikidata":"https://www.wikidata.org/wiki/Q899089","display_name":"Delocalized electron","level":2,"score":0.2558000087738037}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/acs.jpcc.6c05164","doi":"https://doi.org/10.1021/acs.jpcc.6c05164","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jpcc.6c05164","pdf_url":"https://pubs.acs.org/jpccck/article-pdf/doi/10.1021/acs.jpcc.6c05164/69111216/acs.jpcc.6c05164.pdf","source":{"id":"https://openalex.org/S95739953","display_name":"The Journal of Physical Chemistry C","issn_l":"1932-7447","issn":["1932-7447","1932-7455"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-2","ki-jl-1","norway-1","poland-140","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-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry C","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1021/acs.jpcc.6c05164","doi":"https://doi.org/10.1021/acs.jpcc.6c05164","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jpcc.6c05164","pdf_url":"https://pubs.acs.org/jpccck/article-pdf/doi/10.1021/acs.jpcc.6c05164/69111216/acs.jpcc.6c05164.pdf","source":{"id":"https://openalex.org/S95739953","display_name":"The Journal of Physical Chemistry C","issn_l":"1932-7447","issn":["1932-7447","1932-7455"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-2","ki-jl-1","norway-1","poland-140","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-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry C","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320313220","display_name":"Kindai University","ror":"https://ror.org/05kt9ap64"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7225430882.pdf","grobid_xml":"https://content.openalex.org/works/W7225430882.grobid-xml"},"referenced_works_count":56,"referenced_works":["https://openalex.org/W1967164766","https://openalex.org/W1975039694","https://openalex.org/W2005831205","https://openalex.org/W2014817175","https://openalex.org/W2035227761","https://openalex.org/W2043044330","https://openalex.org/W2072087803","https://openalex.org/W2081265210","https://openalex.org/W2086722250","https://openalex.org/W2091273808","https://openalex.org/W2123852381","https://openalex.org/W2165436688","https://openalex.org/W2247506918","https://openalex.org/W2471629560","https://openalex.org/W2515310254","https://openalex.org/W2578816202","https://openalex.org/W2582435083","https://openalex.org/W2687808417","https://openalex.org/W2734204036","https://openalex.org/W2749211685","https://openalex.org/W2765652562","https://openalex.org/W2797445881","https://openalex.org/W2802791016","https://openalex.org/W2898517589","https://openalex.org/W2900853769","https://openalex.org/W2903564822","https://openalex.org/W2914180558","https://openalex.org/W2939472541","https://openalex.org/W2972026498","https://openalex.org/W2978907583","https://openalex.org/W2988171813","https://openalex.org/W2996203283","https://openalex.org/W3045191033","https://openalex.org/W3081143926","https://openalex.org/W3096894751","https://openalex.org/W3181054244","https://openalex.org/W3196379354","https://openalex.org/W4221068579","https://openalex.org/W4225287835","https://openalex.org/W4285288558","https://openalex.org/W4309842534","https://openalex.org/W4313407416","https://openalex.org/W4313825998","https://openalex.org/W4319303051","https://openalex.org/W4390496550","https://openalex.org/W4391481048","https://openalex.org/W4393183951","https://openalex.org/W4401397389","https://openalex.org/W4405717781","https://openalex.org/W4407875377","https://openalex.org/W4408407309","https://openalex.org/W4410374758","https://openalex.org/W4415622684","https://openalex.org/W4416086034","https://openalex.org/W7133981488","https://openalex.org/W7161943845"],"related_works":["https://openalex.org/W4309842534","https://openalex.org/W7214115903","https://openalex.org/W2160359815","https://openalex.org/W7169844493","https://openalex.org/W2077932358","https://openalex.org/W4403979247","https://openalex.org/W4281675063","https://openalex.org/W2078112384","https://openalex.org/W2235859067","https://openalex.org/W2062669158"],"abstract_inverted_index":{"Abstract":[0],"Surface-enhanced":[1],"Raman":[2,33,75,155],"scattering":[3],"(SERS)":[4],"on":[5,95,131],"single-atom":[6,191],"platforms":[7],"offers":[8],"a":[9,23,38,78,96,126],"reproducible,":[10],"hotspot-free":[11],"sensing":[12],"paradigm,":[13],"yet":[14],"its":[15],"fundamental":[16],"mechanism":[17,36],"remains":[18],"elusive.":[19],"Herein,":[20],"we":[21],"present":[22],"comprehensive":[24],"density":[25],"functional":[26,190],"theory":[27],"(DFT)":[28],"investigation":[29],"into":[30,145],"the":[31,48,72,142,186],"\u201cSingle-Atom-Intermediated":[32],"Activation":[34],"(SAIRA)\u201d":[35],"using":[37],"pyridine-adsorbed":[39],"Au/g-C3N4":[40],"model.":[41],"Ground-state":[42],"electronic":[43,134],"structure":[44],"analyses":[45],"reveal":[46],"that":[47,59,89,141],"cavity-confined":[49],"Au":[50],"single":[51],"atom":[52],"acts":[53],"as":[54],"an":[55],"indispensable":[56],"polarization":[57],"center":[58],"triggers":[60],"strong":[61],"orbital":[62],"hybridization":[63],"and":[64,107,133],"interfacial":[65],"charge":[66],"transfer":[67],"upon":[68],"molecular":[69],"adsorption.":[70],"Consequently,":[71],"simulated":[73],"static":[74],"activity":[76],"yields":[77],"chemical":[79],"enhancement":[80],"factor":[81],"about":[82],"1":[83],"order":[84],"of":[85,90,104,189],"magnitude":[86],"higher":[87],"than":[88],"conventional":[91],"Au20":[92],"clusters.":[93],"Based":[94],"model":[97,167],"chemistry":[98],"established":[99],"through":[100],"systematic":[101],"benchmark":[102],"evaluations":[103],"DFT":[105],"functionals":[106],"basis":[108],"sets,":[109],"this":[110,122,158,170],"protocol":[111,124],"successfully":[112],"captured":[113],"experimental":[114],"observations":[115],"across":[116],"various":[117],"probe":[118],"molecules.":[119],"Importantly,":[120],"extending":[121],"validated":[123],"to":[125],"two-dimensional":[127],"descriptor":[128,160],"map":[129],"based":[130],"energetic":[132],"parameters":[135],"for":[136,178,185],"30":[137],"d-block":[138],"elements":[139],"reveals":[140],"systems":[143],"segregate":[144],"three":[146],"distinct":[147],"mechanistic":[148],"domains,":[149],"exhibiting":[150],"pronounced":[151],"interdomain":[152],"variations":[153],"in":[154],"enhancement.":[156],"Furthermore,":[157],"2D":[159],"mapping":[161],"demonstrates":[162],"high":[163],"robustness":[164],"against":[165],"alternative":[166],"chemistries.":[168],"Ultimately,":[169],"work":[171],"establishes":[172],"electronic-level":[173],"design":[174,188],"principles":[175],"not":[176],"only":[177],"next-generation":[179],"single-atom-based":[180],"SERS":[181],"technologies":[182],"but":[183],"also":[184],"rational":[187],"catalysts.":[192]},"counts_by_year":[],"updated_date":"2026-11-08T12:12:28.789561","created_date":"2026-11-07T00:00:00"}