{"id":"https://openalex.org/W4393758964","doi":"https://doi.org/10.5281/zenodo.8241503","title":"ifilot/microkinetic-datasets-methanation-fts: Fix error in description","display_name":"ifilot/microkinetic-datasets-methanation-fts: Fix error in description","publication_year":2023,"publication_date":"2023-08-12","ids":{"openalex":"https://openalex.org/W4393758964","doi":"https://doi.org/10.5281/zenodo.8241503"},"language":"en","primary_location":{"id":"pmh:oai:pure.tue.nl:datasets/8016564e-64b1-423d-97f2-ef587cc90034","doi":null,"is_oa":true,"landing_page_url":"https://research.tue.nl/en/datasets/8016564e-64b1-423d-97f2-ef587cc90034","pdf_url":null,"source":{"id":"https://openalex.org/S4406922641","display_name":"TU/e Research Portal","issn_l":null,"issn":null,"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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Dataset"},"volume":null,"type":"dataset","is_traditional":false,"indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://research.tue.nl/en/datasets/8016564e-64b1-423d-97f2-ef587cc90034","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5011609598","display_name":"Bart Zijlstra","orcid":"https://orcid.org/0000-0002-4040-6545","observed_orcids":["https://orcid.org/0000-0002-4040-6545"]},"institutions":[{"id":"https://openalex.org/I83019370","display_name":"Eindhoven University of Technology","ror":"https://ror.org/02c2kyt77","country_code":"NL","type":"education","lineage":["https://openalex.org/I83019370"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Zijlstra, Bart","raw_affiliation_strings":["Eindhoven University of Technology"],"raw_orcid":"https://orcid.org/0000-0002-4040-6545","affiliations":[{"raw_affiliation_string":"Eindhoven University of Technology","institution_ids":["https://openalex.org/I83019370"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069395820","display_name":"Bart Klumpers","orcid":"https://orcid.org/0000-0001-9112-9069","observed_orcids":["https://orcid.org/0000-0001-9112-9069"]},"institutions":[{"id":"https://openalex.org/I83019370","display_name":"Eindhoven University of Technology","ror":"https://ror.org/02c2kyt77","country_code":"NL","type":"education","lineage":["https://openalex.org/I83019370"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Klumpers, Bart","raw_affiliation_strings":["Eindhoven University of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Eindhoven University of Technology","institution_ids":["https://openalex.org/I83019370"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065080571","display_name":"Emiel J. M. Hensen","orcid":"https://orcid.org/0000-0002-9754-2417","observed_orcids":["https://orcid.org/0000-0002-9754-2417"]},"institutions":[{"id":"https://openalex.org/I83019370","display_name":"Eindhoven University of Technology","ror":"https://ror.org/02c2kyt77","country_code":"NL","type":"education","lineage":["https://openalex.org/I83019370"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Hensen, Emiel","raw_affiliation_strings":["Eindhoven University of Technology"],"raw_orcid":"https://orcid.org/0000-0002-9754-2417","affiliations":[{"raw_affiliation_string":"Eindhoven University of Technology","institution_ids":["https://openalex.org/I83019370"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5019801445","display_name":"Ivo A. W. Filot","orcid":"https://orcid.org/0000-0003-1403-8379","observed_orcids":["https://orcid.org/0000-0003-1403-8379"]},"institutions":[{"id":"https://openalex.org/I83019370","display_name":"Eindhoven University of Technology","ror":"https://ror.org/02c2kyt77","country_code":"NL","type":"education","lineage":["https://openalex.org/I83019370"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Filot, Ivo","raw_affiliation_strings":["Eindhoven University of Technology"],"raw_orcid":"https://orcid.org/0000-0003-1403-8379","affiliations":[{"raw_affiliation_string":"Eindhoven University of Technology","institution_ids":["https://openalex.org/I83019370"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I83019370"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"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/T10495","display_name":"Catalysts for Methane Reforming","score":0.9984999895095825,"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/T10495","display_name":"Catalysts for Methane Reforming","score":0.9984999895095825,"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/T11784","display_name":"CO2 Reduction Techniques and Catalysts","score":0.0006000000284984708,"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":0.00019999999494757503,"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/co2-methanation","display_name":"CO2 methanation","score":0.9509999752044678},{"id":"https://openalex.org/keywords/fischer-tropsch-synthesis","display_name":"Fischer-Tropsch synthesis","score":0.972000002861023},{"id":"https://openalex.org/keywords/microkinetic-modeling","display_name":"microkinetic modeling","score":0.9049999713897705},{"id":"https://openalex.org/keywords/cobalt-catalysts","display_name":"cobalt catalysts","score":0.8140000104904175},{"id":"https://openalex.org/keywords/step-edge-sites","display_name":"step edge sites","score":0.8460000157356262},{"id":"https://openalex.org/keywords/dual-site-catalysts","display_name":"dual-site catalysts","score":0.6439999938011169},{"id":"https://openalex.org/keywords/co-hydrogenation","display_name":"CO hydrogenation","score":0.6240000128746033},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"reaction mechanism","score":0.3619999885559082},{"id":"https://openalex.org/keywords/lateral-interactions","display_name":"lateral interactions","score":0.5080000162124634}],"concepts":[{"id":"https://openalex.org/C123703457","wikidata":"https://www.wikidata.org/wiki/Q905071","display_name":"Methanation","level":3,"score":0.8982410430908203},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.42490851879119873},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.24156835675239563},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.09004110097885132},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"pmh:oai:pure.tue.nl:datasets/8016564e-64b1-423d-97f2-ef587cc90034","doi":null,"is_oa":true,"landing_page_url":"https://research.tue.nl/en/datasets/8016564e-64b1-423d-97f2-ef587cc90034","pdf_url":null,"source":{"id":"https://openalex.org/S4406922641","display_name":"TU/e Research Portal","issn_l":null,"issn":null,"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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Dataset"},{"id":"pmh:oai:zenodo.org:8241527","doi":null,"is_oa":true,"landing_page_url":"https://zenodo.org/record/8241527","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"dataset"},{"id":"doi:10.5281/zenodo.8241503","doi":"https://doi.org/10.5281/zenodo.8241503","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.8241503","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},{"id":"doi:10.5281/zenodo.8241504","doi":"https://doi.org/10.5281/zenodo.8241504","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.8241504","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},{"id":"doi:10.5281/zenodo.8241527","doi":"https://doi.org/10.5281/zenodo.8241527","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.8241527","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"}],"best_oa_location":{"id":"pmh:oai:pure.tue.nl:datasets/8016564e-64b1-423d-97f2-ef587cc90034","doi":null,"is_oa":true,"landing_page_url":"https://research.tue.nl/en/datasets/8016564e-64b1-423d-97f2-ef587cc90034","pdf_url":null,"source":{"id":"https://openalex.org/S4406922641","display_name":"TU/e Research Portal","issn_l":null,"issn":null,"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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Dataset"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W7162448066","https://openalex.org/W7104017047","https://openalex.org/W4393524777","https://openalex.org/W7118086270","https://openalex.org/W7167061136","https://openalex.org/W7125721711","https://openalex.org/W6911685665","https://openalex.org/W3004150080","https://openalex.org/W7167659679","https://openalex.org/W7128094582"],"abstract_inverted_index":{"This":[0],"repository":[1],"contains":[2],"three":[3],"datasets":[4,31],"for":[5,85,119],"performing":[6],"microkinetic":[7,133],"simulations.":[8],"CO2":[9,15,86],"methanation":[10,16],"over":[11,17,24],"Co(1121)":[12],"lattice":[13,28],"[1]":[14],"a":[18,25],"NiMn":[19],"catalyst":[20],"[2]":[21],"Fischer-Tropsch":[22],"synthesis":[23],"dual-site":[26],"Co(0001)xCo(1121)":[27],"[3]":[29],"These":[30],"are":[32],"based":[33],"on":[34,126,146],"the":[35,147,154],"following":[36],"publications":[37],"1.":[38,54],"W.":[39,66,100,107],"Chen;":[40,67,101],"R.":[41,96],"Pestman;":[42],"B.":[43,72,94],"Zijlstra;":[44,73,95],"I.A.W.":[45,74],"Filot;":[46,75,108],"E.J.M.":[47,79],"Hensen,":[48,80,112],"Mechanism":[49],"of":[50,116,149],"cobalt-catalyzed":[51],"co":[52,121],"hydrogenation:":[53],"methanation,":[55],"ACS":[56,88,138],"Catal.,":[57,89,139],"2017,":[58],"7,":[59],"8061-8071.":[60],"2.":[61],"W.L.":[62],"Vrijburg;":[63],"E.":[64,109],"Moioli;":[65],"M.":[68,111],"Zhang;":[69],"B.J.P.":[70],"Terlingen;":[71],"A.Zuttel;":[76],"E.A.":[77],"Pidko;":[78],"Efficient":[81],"Base-Metal":[82],"NiMn/TiO2":[83],"Catalyst":[84],"Methanation,":[87],"2019,":[90],"9,":[91],"7823-7839.":[92],"3.":[93],"J.":[97,110],"P.":[98],"Broos;":[99],"G.":[102],"L.":[103],"Bezemer;":[104],"I.":[105],"A.":[106],"The":[113],"vital":[114],"role":[115],"step-edge":[117],"sites":[118],"both":[120],"activation":[122],"and":[123],"chain":[124],"growth":[125],"cobalt":[127],"fischer-tropsch":[128],"catalysts":[129],"revealed":[130],"through":[131],"first-principles-based":[132],"modeling":[134],"including":[135],"lateral":[136],"interactions,":[137],"2020,":[140],"10,":[141],"9376-9400.":[142],"For":[143],"more":[144],"information":[145],"formatting":[148],"these":[150],"files,":[151],"please":[152],"consult":[153],"MKMCXX":[155],"wiki.":[156]},"counts_by_year":[],"updated_date":"2026-11-13T13:42:25.865203","created_date":"2024-04-03T00:00:00"}