{"id":"https://openalex.org/W4404822579","doi":"https://doi.org/10.3390/e26121029","title":"Understanding Catalyst \u2018Volcano\u2019 Dependence Through Fermi-Level Controlled Kinetics Using Electronic Theory","display_name":"Understanding Catalyst \u2018Volcano\u2019 Dependence Through Fermi-Level Controlled Kinetics Using Electronic Theory","publication_year":2024,"publication_date":"2024-11-28","ids":{"openalex":"https://openalex.org/W4404822579","doi":"https://doi.org/10.3390/e26121029","pmid":"https://pubmed.ncbi.nlm.nih.gov/39766658"},"language":"en","primary_location":{"id":"doi:10.3390/e26121029","is_oa":true,"landing_page_url":"https://doi.org/10.3390/e26121029","pdf_url":"https://www.mdpi.com/1099-4300/26/12/1029/pdf?version=1732791084","source":{"id":"https://openalex.org/S195231649","display_name":"Entropy","issn_l":"1099-4300","issn":["1099-4300"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Entropy","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/1099-4300/26/12/1029/pdf?version=1732791084","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5071156883","display_name":"N. N. Turaeva","orcid":"https://orcid.org/0000-0003-4294-1717"},"institutions":[{"id":"https://openalex.org/I97098773","display_name":"Webster University","ror":"https://ror.org/01x8j4206","country_code":"US","type":"education","lineage":["https://openalex.org/I97098773"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Nigora Turaeva","raw_affiliation_strings":["Department of Natural Sciences and Mathematics, Webster University, Saint Louis, MO 63119, USA"],"raw_orcid":"https://orcid.org/0000-0003-4294-1717","affiliations":[{"raw_affiliation_string":"Department of Natural Sciences and Mathematics, Webster University, Saint Louis, MO 63119, USA","institution_ids":["https://openalex.org/I97098773"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042070287","display_name":"Gregory S. Yablonsky","orcid":"https://orcid.org/0000-0001-8970-1943"},"institutions":[{"id":"https://openalex.org/I204465549","display_name":"Washington University in St. Louis","ror":"https://ror.org/01yc7t268","country_code":"US","type":"education","lineage":["https://openalex.org/I204465549"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Gregory Yablonsky","raw_affiliation_strings":["Department of Energy, Environmental and Chemical Engineering, McKelvey School of Engineering, Washington University in Saint Louis, Saint Louis, MO 63130, USA"],"raw_orcid":"https://orcid.org/0000-0001-8970-1943","affiliations":[{"raw_affiliation_string":"Department of Energy, Environmental and Chemical Engineering, McKelvey School of Engineering, Washington University in Saint Louis, Saint Louis, MO 63130, USA","institution_ids":["https://openalex.org/I204465549"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5034602097","display_name":"Rebecca Fushimi","orcid":"https://orcid.org/0000-0002-7570-0234"},"institutions":[{"id":"https://openalex.org/I2800102766","display_name":"Idaho National Laboratory","ror":"https://ror.org/00ty2a548","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I2800102766","https://openalex.org/I2801818860"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Rebecca Fushimi","raw_affiliation_strings":["Catalysis and Transient Kinetics Group, Idaho National Laboratory, Idaho Falls, ID 83415, USA","Department of Biological and Chemical Processing, Idaho National Laboratory, Idaho Falls, ID 83415, USA"],"raw_orcid":"https://orcid.org/0000-0002-7570-0234","affiliations":[{"raw_affiliation_string":"Catalysis and Transient Kinetics Group, Idaho National Laboratory, Idaho Falls, ID 83415, USA","institution_ids":["https://openalex.org/I2800102766"]},{"raw_affiliation_string":"Department of Biological and Chemical Processing, Idaho National Laboratory, Idaho Falls, ID 83415, USA","institution_ids":["https://openalex.org/I2800102766"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5042070287"],"corresponding_institution_ids":["https://openalex.org/I204465549"],"apc_list":{"value":2000,"currency":"CHF","value_usd":2165},"apc_paid":{"value":2000,"currency":"CHF","value_usd":2165},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.12487592,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"26","issue":"12","first_page":"1029","last_page":"1029"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9965999722480774,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9965999722480774,"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/T11825","display_name":"Catalysis and Oxidation Reactions","score":0.9962999820709229,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9919999837875366,"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/catalysis","display_name":"Catalysis","score":0.7532196044921875},{"id":"https://openalex.org/keywords/kinetics","display_name":"Kinetics","score":0.5621415376663208},{"id":"https://openalex.org/keywords/adsorption","display_name":"Adsorption","score":0.522063672542572},{"id":"https://openalex.org/keywords/desorption","display_name":"Desorption","score":0.511013388633728},{"id":"https://openalex.org/keywords/fermi-gamma-ray-space-telescope","display_name":"Fermi Gamma-ray Space Telescope","score":0.4947807192802429},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.458112895488739},{"id":"https://openalex.org/keywords/chemical-kinetics","display_name":"Chemical kinetics","score":0.432331383228302},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.4240581691265106},{"id":"https://openalex.org/keywords/cluster-expansion","display_name":"Cluster expansion","score":0.4202670454978943},{"id":"https://openalex.org/keywords/fermi-level","display_name":"Fermi level","score":0.4157346189022064},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3891810178756714},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.37399908900260925},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.3343185782432556},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.32220831513404846},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.29805701971054077},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.28338634967803955},{"id":"https://openalex.org/keywords/condensed-matter-physics","display_name":"Condensed matter physics","score":0.1566813886165619},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.12498137354850769},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.09077346324920654},{"id":"https://openalex.org/keywords/electron","display_name":"Electron","score":0.07364997267723083}],"concepts":[{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.7532196044921875},{"id":"https://openalex.org/C148898269","wikidata":"https://www.wikidata.org/wiki/Q1108792","display_name":"Kinetics","level":2,"score":0.5621415376663208},{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.522063672542572},{"id":"https://openalex.org/C162711632","wikidata":"https://www.wikidata.org/wiki/Q905514","display_name":"Desorption","level":3,"score":0.511013388633728},{"id":"https://openalex.org/C186769553","wikidata":"https://www.wikidata.org/wiki/Q726648","display_name":"Fermi Gamma-ray Space Telescope","level":2,"score":0.4947807192802429},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.458112895488739},{"id":"https://openalex.org/C36663273","wikidata":"https://www.wikidata.org/wiki/Q209082","display_name":"Chemical kinetics","level":3,"score":0.432331383228302},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4240581691265106},{"id":"https://openalex.org/C2778999785","wikidata":"https://www.wikidata.org/wiki/Q5136697","display_name":"Cluster expansion","level":2,"score":0.4202670454978943},{"id":"https://openalex.org/C40636707","wikidata":"https://www.wikidata.org/wiki/Q13633683","display_name":"Fermi level","level":3,"score":0.4157346189022064},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3891810178756714},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.37399908900260925},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3343185782432556},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.32220831513404846},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.29805701971054077},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.28338634967803955},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.1566813886165619},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.12498137354850769},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.09077346324920654},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.07364997267723083}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.3390/e26121029","is_oa":true,"landing_page_url":"https://doi.org/10.3390/e26121029","pdf_url":"https://www.mdpi.com/1099-4300/26/12/1029/pdf?version=1732791084","source":{"id":"https://openalex.org/S195231649","display_name":"Entropy","issn_l":"1099-4300","issn":["1099-4300"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Entropy","raw_type":"journal-article"},{"id":"pmid:39766658","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39766658","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Entropy (Basel, Switzerland)","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:11726896","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/11726896","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11726896/pdf/entropy-26-01029.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Entropy (Basel)","raw_type":"Text"},{"id":"pmh:oai:doaj.org/article:7a494cf978c04f9fa4cf4de258910fa9","is_oa":false,"landing_page_url":"https://doaj.org/article/7a494cf978c04f9fa4cf4de258910fa9","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Entropy, Vol 26, Iss 12, p 1029 (2024)","raw_type":"article"},{"id":"pmh:oai:osti.gov:2519634","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/2519634","pdf_url":null,"source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":{"id":"doi:10.3390/e26121029","is_oa":true,"landing_page_url":"https://doi.org/10.3390/e26121029","pdf_url":"https://www.mdpi.com/1099-4300/26/12/1029/pdf?version=1732791084","source":{"id":"https://openalex.org/S195231649","display_name":"Entropy","issn_l":"1099-4300","issn":["1099-4300"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Entropy","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2402323868","display_name":null,"funder_award_id":"DE-AC07-05ID14517","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G3584740094","display_name":null,"funder_award_id":"DE-AC07-05ID14517","funder_id":"https://openalex.org/F4320337547","funder_display_name":"Laboratory Directed Research and Development"},{"id":"https://openalex.org/G4072255364","display_name":null,"funder_award_id":"-AC07-05ID14517","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G7108482798","display_name":null,"funder_award_id":"AC07-05ID14517","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320333921","display_name":"Idaho Operations Office, U.S. Department of Energy","ror":null},{"id":"https://openalex.org/F4320337547","display_name":"Laboratory Directed Research and Development","ror":"https://ror.org/01e41cf67"}],"has_content":{"pdf":true,"grobid_xml":false},"content_urls":{"pdf":"https://content.openalex.org/works/W4404822579.pdf"},"referenced_works_count":18,"referenced_works":["https://openalex.org/W1480171480","https://openalex.org/W1869042642","https://openalex.org/W2026504782","https://openalex.org/W2063731290","https://openalex.org/W2080386283","https://openalex.org/W2206070695","https://openalex.org/W2902125701","https://openalex.org/W2950574568","https://openalex.org/W3010069633","https://openalex.org/W3093647419","https://openalex.org/W3098946100","https://openalex.org/W3124481478","https://openalex.org/W3126716745","https://openalex.org/W3128734550","https://openalex.org/W4362635100","https://openalex.org/W6628901024","https://openalex.org/W6967122987","https://openalex.org/W7009171728"],"related_works":["https://openalex.org/W1984689874","https://openalex.org/W4253005003","https://openalex.org/W2008835246","https://openalex.org/W3110121893","https://openalex.org/W1615276571","https://openalex.org/W4236461595","https://openalex.org/W2024014855","https://openalex.org/W2352530861","https://openalex.org/W2392928242","https://openalex.org/W2388010004"],"abstract_inverted_index":{"The":[0,23,39],"ubiquitous":[1],"two-step":[2],"Michaelis-Menten":[3],"and":[4,53],"Temkin-Boudart":[5],"reaction":[6],"mechanisms":[7],"are":[8,46],"extended":[9],"to":[10,71],"include":[11],"the":[12,15,32,56,73,78,82],"influence":[13,50],"of":[14,42,59,81],"catalyst":[16],"electronic":[17,44],"subsystem":[18],"in":[19,37],"a":[20],"5-step":[21],"mechanism.":[22],"resulting":[24],"kinetic":[25],"equation":[26],"provides":[27],"an":[28],"alternative":[29],"explanation":[30],"for":[31,48,84],"well-known":[33],"volcano-shaped":[34],"dependence":[35],"found":[36],"catalysis.":[38],"equilibrium":[40],"constants":[41],"fast":[43],"steps":[45],"highlighted":[47],"their":[49],"on":[51,77],"adsorption":[52],"desorption":[54],"through":[55],"relative":[57],"concentration":[58],"charged":[60],"versus":[61],"neutral":[62],"intermediates.":[63],"This":[64],"generalized":[65],"concept":[66],"can":[67],"be":[68],"widely":[69],"applied":[70],"determine":[72],"optimal":[74],"catalyst,":[75],"based":[76],"Fermi":[79],"level":[80],"material,":[83],"reactions":[85],"proceeding":[86],"via":[87],"this":[88],"universal":[89],"reaction.":[90]},"counts_by_year":[],"updated_date":"2026-06-06T09:05:17.133730","created_date":"2025-10-10T00:00:00"}
