{"id":"https://openalex.org/W2902124155","doi":"https://doi.org/10.1016/j.mcat.2018.11.018","title":"Insights into the reaction pathway of thiophene hydrodesulfurization over corner site of MoS2 catalyst: A density functional theory study","display_name":"Insights into the reaction pathway of thiophene hydrodesulfurization over corner site of MoS2 catalyst: A density functional theory study","publication_year":2018,"publication_date":"2018-11-29","ids":{"openalex":"https://openalex.org/W2902124155","doi":"https://doi.org/10.1016/j.mcat.2018.11.018","mag":"2902124155"},"language":"en","primary_location":{"id":"doi:10.1016/j.mcat.2018.11.018","doi":"https://doi.org/10.1016/j.mcat.2018.11.018","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.mcat.2018.11.018","pdf_url":null,"source":{"id":"https://openalex.org/S2764968843","display_name":"Molecular Catalysis","issn_l":"2468-8231","issn":["2468-8231","2468-8274"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Catalysis","raw_type":"journal-article"},"volume":null,"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/A5100386647","display_name":"Shuo Li","orcid":"https://orcid.org/0000-0003-0091-4518","observed_orcids":["https://orcid.org/0000-0003-0091-4518"]},"institutions":[{"id":"https://openalex.org/I4210162190","display_name":"China University of Petroleum, East China","ror":"https://ror.org/05gbn2817","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210162190"]},{"id":"https://openalex.org/I4391768235","display_name":"State Key Laboratory of Heavy Oil","ror":"https://ror.org/006rwj939","country_code":"CN","type":"facility","lineage":["https://openalex.org/I204553293","https://openalex.org/I4210162190","https://openalex.org/I4391768235"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shuo Li","raw_affiliation_strings":["State Key Laboratory of Heavy Oil Processing, School of Chemical Engineering, China University of Petroleum, Qingdao 266580, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Heavy Oil Processing, School of Chemical Engineering, China University of Petroleum, Qingdao 266580, China","institution_ids":["https://openalex.org/I4210162190","https://openalex.org/I4391768235"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100767946","display_name":"Yibin Liu","orcid":"https://orcid.org/0000-0003-2623-3868","observed_orcids":["https://orcid.org/0000-0003-2623-3868"]},"institutions":[{"id":"https://openalex.org/I4210162190","display_name":"China University of Petroleum, East China","ror":"https://ror.org/05gbn2817","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210162190"]},{"id":"https://openalex.org/I4391768235","display_name":"State Key Laboratory of Heavy Oil","ror":"https://ror.org/006rwj939","country_code":"CN","type":"facility","lineage":["https://openalex.org/I204553293","https://openalex.org/I4210162190","https://openalex.org/I4391768235"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yibin Liu","raw_affiliation_strings":["State Key Laboratory of Heavy Oil Processing, School of Chemical Engineering, China University of Petroleum, Qingdao 266580, China"],"raw_orcid":"https://orcid.org/0000-0003-2623-3868","affiliations":[{"raw_affiliation_string":"State Key Laboratory of Heavy Oil Processing, School of Chemical Engineering, China University of Petroleum, Qingdao 266580, China","institution_ids":["https://openalex.org/I4210162190","https://openalex.org/I4391768235"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048880756","display_name":"Xiang Feng","orcid":"https://orcid.org/0000-0001-7299-5690","observed_orcids":["https://orcid.org/0000-0001-7299-5690"]},"institutions":[{"id":"https://openalex.org/I4210162190","display_name":"China University of Petroleum, East China","ror":"https://ror.org/05gbn2817","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210162190"]},{"id":"https://openalex.org/I4391768235","display_name":"State Key Laboratory of Heavy Oil","ror":"https://ror.org/006rwj939","country_code":"CN","type":"facility","lineage":["https://openalex.org/I204553293","https://openalex.org/I4210162190","https://openalex.org/I4391768235"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiang Feng","raw_affiliation_strings":["State Key Laboratory of Heavy Oil Processing, School of Chemical Engineering, China University of Petroleum, Qingdao 266580, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Heavy Oil Processing, School of Chemical Engineering, China University of Petroleum, Qingdao 266580, China","institution_ids":["https://openalex.org/I4210162190","https://openalex.org/I4391768235"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066570965","display_name":"Xiaobo Chen","orcid":"https://orcid.org/0000-0001-9180-0190","observed_orcids":["https://orcid.org/0000-0001-9180-0190"]},"institutions":[{"id":"https://openalex.org/I4210162190","display_name":"China University of Petroleum, East China","ror":"https://ror.org/05gbn2817","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210162190"]},{"id":"https://openalex.org/I4391768235","display_name":"State Key Laboratory of Heavy Oil","ror":"https://ror.org/006rwj939","country_code":"CN","type":"facility","lineage":["https://openalex.org/I204553293","https://openalex.org/I4210162190","https://openalex.org/I4391768235"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiaobo Chen","raw_affiliation_strings":["State Key Laboratory of Heavy Oil Processing, School of Chemical Engineering, China University of Petroleum, Qingdao 266580, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Heavy Oil Processing, School of Chemical Engineering, China University of Petroleum, Qingdao 266580, China","institution_ids":["https://openalex.org/I4210162190","https://openalex.org/I4391768235"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5101791495","display_name":"Chaohe Yang","orcid":"https://orcid.org/0000-0001-6995-9170","observed_orcids":["https://orcid.org/0000-0001-6995-9170"]},"institutions":[{"id":"https://openalex.org/I4210162190","display_name":"China University of Petroleum, East China","ror":"https://ror.org/05gbn2817","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210162190"]},{"id":"https://openalex.org/I4391768235","display_name":"State Key Laboratory of Heavy Oil","ror":"https://ror.org/006rwj939","country_code":"CN","type":"facility","lineage":["https://openalex.org/I204553293","https://openalex.org/I4210162190","https://openalex.org/I4391768235"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Chaohe Yang","raw_affiliation_strings":["State Key Laboratory of Heavy Oil Processing, School of Chemical Engineering, China University of Petroleum, Qingdao 266580, China"],"raw_orcid":"https://orcid.org/0000-0001-6995-9170","affiliations":[{"raw_affiliation_string":"State Key Laboratory of Heavy Oil Processing, School of Chemical Engineering, China University of Petroleum, Qingdao 266580, China","institution_ids":["https://openalex.org/I4210162190","https://openalex.org/I4391768235"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5101791495"],"corresponding_institution_ids":["https://openalex.org/I4210162190","https://openalex.org/I4391768235"],"apc_list":{"value":3110,"currency":"USD","value_usd":3110},"apc_paid":null,"fwci":0.8902,"has_fulltext":false,"cited_by_count":33,"citation_normalized_percentile":{"value":0.66920088,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":"463","issue":null,"first_page":"45","last_page":"53"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11351","display_name":"Catalysis and Hydrodesulfurization Studies","score":1.0,"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/T11351","display_name":"Catalysis and Hydrodesulfurization Studies","score":1.0,"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/T12425","display_name":"Industrial Gas Emission Control","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2305","display_name":"Environmental Engineering"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12240","display_name":"Nanomaterials for catalytic reactions","score":0.0,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/thiophene-hydrodesulfurization","display_name":"thiophene hydrodesulfurization","score":0.9599999785423279},{"id":"https://openalex.org/keywords/mos2-catalysts","display_name":"MoS2 catalysts","score":0.8679999709129333},{"id":"https://openalex.org/keywords/corner-sites","display_name":"corner sites","score":0.8360000252723694},{"id":"https://openalex.org/keywords/c-s-bond-cleavage","display_name":"C\u2013S bond cleavage","score":0.9139999747276306},{"id":"https://openalex.org/keywords/reaction-energy-barrier","display_name":"reaction barriers","score":0.5659999847412109},{"id":"https://openalex.org/keywords/activation-energy","display_name":"activation energy","score":0.7160000205039978},{"id":"https://openalex.org/keywords/2-5-dihydrothiophene","display_name":"2,5-dihydrothiophene","score":0.9610000252723694},{"id":"https://openalex.org/keywords/tetrahydrothiophene","display_name":"tetrahydrothiophene","score":0.9559999704360962},{"id":"https://openalex.org/keywords/hydrotreating","display_name":"hydrotreating","score":0.7620000243186951}],"concepts":[{"id":"https://openalex.org/C197129369","wikidata":"https://www.wikidata.org/wiki/Q899016","display_name":"Hydrodesulfurization","level":3,"score":0.9321627020835876},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.8089708089828491},{"id":"https://openalex.org/C2779953032","wikidata":"https://www.wikidata.org/wiki/Q305364","display_name":"Thiophene","level":2,"score":0.8061878681182861},{"id":"https://openalex.org/C3044715","wikidata":"https://www.wikidata.org/wiki/Q3952437","display_name":"Bond cleavage","level":3,"score":0.7149595022201538},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.6925129890441895},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6897217035293579},{"id":"https://openalex.org/C68000547","wikidata":"https://www.wikidata.org/wiki/Q903423","display_name":"Flue-gas desulfurization","level":2,"score":0.6440261602401733},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.618541955947876},{"id":"https://openalex.org/C2780477052","wikidata":"https://www.wikidata.org/wiki/Q412118","display_name":"Tetrahydrothiophene","level":2,"score":0.5958402752876282},{"id":"https://openalex.org/C95121573","wikidata":"https://www.wikidata.org/wiki/Q190474","display_name":"Activation energy","level":2,"score":0.438610702753067},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.30375924706459045},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.29880696535110474},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1671418845653534}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.mcat.2018.11.018","doi":"https://doi.org/10.1016/j.mcat.2018.11.018","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.mcat.2018.11.018","pdf_url":null,"source":{"id":"https://openalex.org/S2764968843","display_name":"Molecular Catalysis","issn_l":"2468-8231","issn":["2468-8231","2468-8274"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Catalysis","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7","score":0.5690000057220459}],"study_designs":[],"awards":[{"id":"https://openalex.org/G234934030","display_name":null,"funder_award_id":"U1462205","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3382293739","display_name":null,"funder_award_id":"2017GSF17126","funder_id":"https://openalex.org/F4320333596","funder_display_name":"Key Technology Research and Development Program of Shandong"},{"id":"https://openalex.org/G517163933","display_name":null,"funder_award_id":"18CX02014A","funder_id":"https://openalex.org/F4320335787","funder_display_name":"Fundamental Research Funds for the Central Universities"},{"id":"https://openalex.org/G5702832229","display_name":null,"funder_award_id":"21606254","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8869210522","display_name":null,"funder_award_id":"ZR2016BB16","funder_id":"https://openalex.org/F4320324174","funder_display_name":"Natural Science Foundation of Shandong Province"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320324174","display_name":"Natural Science Foundation of Shandong Province","ror":null},{"id":"https://openalex.org/F4320333596","display_name":"Key Technology Research and Development Program of Shandong","ror":null},{"id":"https://openalex.org/F4320335787","display_name":"Fundamental Research Funds for the Central Universities","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":55,"referenced_works":["https://openalex.org/W1649557601","https://openalex.org/W1965340796","https://openalex.org/W1966750682","https://openalex.org/W1969544215","https://openalex.org/W1970317498","https://openalex.org/W1978633051","https://openalex.org/W1983810690","https://openalex.org/W1986580600","https://openalex.org/W1991526301","https://openalex.org/W1993666149","https://openalex.org/W1994701349","https://openalex.org/W2007518198","https://openalex.org/W2014068089","https://openalex.org/W2015484889","https://openalex.org/W2015853282","https://openalex.org/W2019095899","https://openalex.org/W2021107698","https://openalex.org/W2021317719","https://openalex.org/W2022791515","https://openalex.org/W2031906810","https://openalex.org/W2036614066","https://openalex.org/W2037297491","https://openalex.org/W2041117886","https://openalex.org/W2047617697","https://openalex.org/W2048204623","https://openalex.org/W2050246354","https://openalex.org/W2057458922","https://openalex.org/W2061358323","https://openalex.org/W2062509686","https://openalex.org/W2062541176","https://openalex.org/W2064491091","https://openalex.org/W2065772766","https://openalex.org/W2067433083","https://openalex.org/W2072782993","https://openalex.org/W2073903340","https://openalex.org/W2075941024","https://openalex.org/W2076417864","https://openalex.org/W2080241239","https://openalex.org/W2086607209","https://openalex.org/W2135926448","https://openalex.org/W2142770448","https://openalex.org/W2144221184","https://openalex.org/W2283923096","https://openalex.org/W2323502104","https://openalex.org/W2527922879","https://openalex.org/W2559496291","https://openalex.org/W2590582348","https://openalex.org/W2706174073","https://openalex.org/W2794242613","https://openalex.org/W2802410869","https://openalex.org/W2809289430","https://openalex.org/W2883947213","https://openalex.org/W2888882991","https://openalex.org/W2949801026","https://openalex.org/W2951914603"],"related_works":["https://openalex.org/W2064491091","https://openalex.org/W2073903340","https://openalex.org/W2590582348","https://openalex.org/W2902750788","https://openalex.org/W2794242613","https://openalex.org/W2559496291","https://openalex.org/W7019779813","https://openalex.org/W1993666149","https://openalex.org/W2913625414","https://openalex.org/W2395077593"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":7},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":7},{"year":2019,"cited_by_count":5}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2018-12-11T00:00:00"}