{"id":"https://openalex.org/W3042045596","doi":"https://doi.org/10.1039/d0cy01009j","title":"Insight into the effects of electronegativity on the H 2 catalytic activation for CO 2 hydrogenation: four transition metal cases from a DFT study","display_name":"Insight into the effects of electronegativity on the H 2 catalytic activation for CO 2 hydrogenation: four transition metal cases from a DFT study","publication_year":2020,"publication_date":"2020-01-01","ids":{"openalex":"https://openalex.org/W3042045596","doi":"https://doi.org/10.1039/d0cy01009j","mag":"3042045596"},"language":"en","primary_location":{"id":"doi:10.1039/d0cy01009j","doi":"https://doi.org/10.1039/d0cy01009j","is_oa":false,"landing_page_url":"https://doi.org/10.1039/d0cy01009j","pdf_url":null,"source":{"id":"https://openalex.org/S2482773761","display_name":"Catalysis Science & Technology","issn_l":"2044-4753","issn":["2044-4753","2044-4761"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Catalysis Science &amp; Technology","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/A5100627243","display_name":"Haipeng Chen","orcid":"https://orcid.org/0000-0001-5115-5270","observed_orcids":["https://orcid.org/0000-0001-5115-5270"]},"institutions":[{"id":"https://openalex.org/I4210117164","display_name":"Luoyang Normal University","ror":"https://ror.org/029man787","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210117164"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Haipeng Chen","raw_affiliation_strings":["China","College of Chemistry and Chemical Engineering","Henan Key Laboratory of Function-Oriented Porous Materials","Luoyang 471934","Luoyang Normal University","College of Chemistry and Chemical Engineering, Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934, China"],"raw_orcid":"https://orcid.org/0000-0001-5115-5270","affiliations":[{"raw_affiliation_string":"China","institution_ids":[]},{"raw_affiliation_string":"College of Chemistry and Chemical Engineering","institution_ids":[]},{"raw_affiliation_string":"Henan Key Laboratory of Function-Oriented Porous Materials","institution_ids":[]},{"raw_affiliation_string":"Luoyang 471934","institution_ids":[]},{"raw_affiliation_string":"Luoyang Normal University","institution_ids":["https://openalex.org/I4210117164"]},{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934, China","institution_ids":["https://openalex.org/I4210117164"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Minjian Yang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4405270744","display_name":"Guizhou University of Engineering Science","ror":"https://ror.org/018bx1s50","country_code":"CN","type":"education","lineage":["https://openalex.org/I4405270744"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Minjian Yang","raw_affiliation_strings":["Bijie 551700","China","College of Chemical Engineering","Guizhou University of Engineering Science","College of Chemical Engineering, Guizhou University of Engineering Science, Bijie 551700, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bijie 551700","institution_ids":[]},{"raw_affiliation_string":"China","institution_ids":[]},{"raw_affiliation_string":"College of Chemical Engineering","institution_ids":[]},{"raw_affiliation_string":"Guizhou University of Engineering Science","institution_ids":["https://openalex.org/I4405270744"]},{"raw_affiliation_string":"College of Chemical Engineering, Guizhou University of Engineering Science, Bijie 551700, China","institution_ids":["https://openalex.org/I4405270744"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004441509","display_name":"Jinqiang Liu","orcid":"https://orcid.org/0000-0002-9272-2371","observed_orcids":["https://orcid.org/0000-0002-9272-2371"]},"institutions":[{"id":"https://openalex.org/I4210117164","display_name":"Luoyang Normal University","ror":"https://ror.org/029man787","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210117164"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jinqiang Liu","raw_affiliation_strings":["China","College of Chemistry and Chemical Engineering","Henan Key Laboratory of Function-Oriented Porous Materials","Luoyang 471934","Luoyang Normal University","College of Chemistry and Chemical Engineering, Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"China","institution_ids":[]},{"raw_affiliation_string":"College of Chemistry and Chemical Engineering","institution_ids":[]},{"raw_affiliation_string":"Henan Key Laboratory of Function-Oriented Porous Materials","institution_ids":[]},{"raw_affiliation_string":"Luoyang 471934","institution_ids":[]},{"raw_affiliation_string":"Luoyang Normal University","institution_ids":["https://openalex.org/I4210117164"]},{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934, China","institution_ids":["https://openalex.org/I4210117164"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015922489","display_name":"Guojian Lu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4405280073","display_name":"Lianyungang Normal College","ror":"https://ror.org/02dbyw682","country_code":"CN","type":"education","lineage":["https://openalex.org/I4405280073"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Guojian Lu","raw_affiliation_strings":["China","Lianyungang 222006","Lianyungang Normal College","Lianyungang Normal College, Lianyungang 222006, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"China","institution_ids":[]},{"raw_affiliation_string":"Lianyungang 222006","institution_ids":[]},{"raw_affiliation_string":"Lianyungang Normal College","institution_ids":["https://openalex.org/I4405280073"]},{"raw_affiliation_string":"Lianyungang Normal College, Lianyungang 222006, China","institution_ids":["https://openalex.org/I4405280073"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5054659468","display_name":"Xun Feng","orcid":"https://orcid.org/0000-0002-3734-9260","observed_orcids":["https://orcid.org/0000-0002-3734-9260"]},"institutions":[{"id":"https://openalex.org/I4210117164","display_name":"Luoyang Normal University","ror":"https://ror.org/029man787","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210117164"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xun Feng","raw_affiliation_strings":["China","College of Chemistry and Chemical Engineering","Henan Key Laboratory of Function-Oriented Porous Materials","Luoyang 471934","Luoyang Normal University","College of Chemistry and Chemical Engineering, Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"China","institution_ids":[]},{"raw_affiliation_string":"College of Chemistry and Chemical Engineering","institution_ids":[]},{"raw_affiliation_string":"Henan Key Laboratory of Function-Oriented Porous Materials","institution_ids":[]},{"raw_affiliation_string":"Luoyang 471934","institution_ids":[]},{"raw_affiliation_string":"Luoyang Normal University","institution_ids":["https://openalex.org/I4210117164"]},{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934, China","institution_ids":["https://openalex.org/I4210117164"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5015922489","https://openalex.org/A5054659468","https://openalex.org/A5100627243"],"corresponding_institution_ids":["https://openalex.org/I4210117164","https://openalex.org/I4405280073"],"apc_list":null,"apc_paid":null,"fwci":0.6515,"has_fulltext":false,"cited_by_count":28,"citation_normalized_percentile":{"value":0.54336062,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"10","issue":"16","first_page":"5641","last_page":"5647"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10495","display_name":"Catalysts for Methane Reforming","score":0.926800012588501,"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":0.926800012588501,"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":0.04820000007748604,"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/T11593","display_name":"Carbon dioxide utilization in catalysis","score":0.01510000042617321,"subfield":{"id":"https://openalex.org/subfields/1508","display_name":"Process Chemistry and Technology"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/co2-hydrogenation","display_name":"CO2 hydrogenation","score":0.8949999809265137},{"id":"https://openalex.org/keywords/hydrogen-activation","display_name":"hydrogen activation","score":0.6150000095367432},{"id":"https://openalex.org/keywords/electronegativity","display_name":"electronegativity","score":0.9639999866485596},{"id":"https://openalex.org/keywords/transition-metal-catalysts","display_name":"transition metal catalysts","score":0.8949999809265137},{"id":"https://openalex.org/keywords/hydrogen-species","display_name":"hydrogen species","score":0.5659999847412109},{"id":"https://openalex.org/keywords/reaction-pathways","display_name":"reaction pathways","score":0.6930000185966492},{"id":"https://openalex.org/keywords/metal-support-interaction","display_name":"metal-support interaction","score":0.335999995470047}],"concepts":[{"id":"https://openalex.org/C177293861","wikidata":"https://www.wikidata.org/wiki/Q78974","display_name":"Electronegativity","level":2,"score":0.9723650217056274},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.8318781852722168},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.7611401081085205},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5072400569915771},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.4601031541824341},{"id":"https://openalex.org/C2777735758","wikidata":"https://www.wikidata.org/wiki/Q817765","display_name":"Path (computing)","level":2,"score":0.410670667886734},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.40812402963638306},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.15426525473594666},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.047608762979507446},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1039/d0cy01009j","doi":"https://doi.org/10.1039/d0cy01009j","is_oa":false,"landing_page_url":"https://doi.org/10.1039/d0cy01009j","pdf_url":null,"source":{"id":"https://openalex.org/S2482773761","display_name":"Catalysis Science & Technology","issn_l":"2044-4753","issn":["2044-4753","2044-4761"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Catalysis Science &amp; Technology","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G8050029657","display_name":null,"funder_award_id":"U1804131","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":54,"referenced_works":["https://openalex.org/W1510739434","https://openalex.org/W1555702265","https://openalex.org/W1742755612","https://openalex.org/W1943165433","https://openalex.org/W1966750682","https://openalex.org/W1981368803","https://openalex.org/W1997113421","https://openalex.org/W2006836299","https://openalex.org/W2028258080","https://openalex.org/W2031392919","https://openalex.org/W2031430816","https://openalex.org/W2039948490","https://openalex.org/W2055203902","https://openalex.org/W2083573144","https://openalex.org/W2084861203","https://openalex.org/W2286689268","https://openalex.org/W2301933907","https://openalex.org/W2325561634","https://openalex.org/W2346010416","https://openalex.org/W2600566292","https://openalex.org/W2722013064","https://openalex.org/W2770562898","https://openalex.org/W2782733795","https://openalex.org/W2789303500","https://openalex.org/W2801692635","https://openalex.org/W2801697097","https://openalex.org/W2802783352","https://openalex.org/W2803088437","https://openalex.org/W2807956242","https://openalex.org/W2810202639","https://openalex.org/W2893131698","https://openalex.org/W2900229530","https://openalex.org/W2902122673","https://openalex.org/W2905514102","https://openalex.org/W2911304958","https://openalex.org/W2920879732","https://openalex.org/W2921244834","https://openalex.org/W2940684905","https://openalex.org/W2942180764","https://openalex.org/W2945147106","https://openalex.org/W2946371703","https://openalex.org/W2949835922","https://openalex.org/W2950372616","https://openalex.org/W2966218488","https://openalex.org/W2969578766","https://openalex.org/W2969605196","https://openalex.org/W2969621254","https://openalex.org/W2973804043","https://openalex.org/W2977275394","https://openalex.org/W2982327193","https://openalex.org/W2995081548","https://openalex.org/W3010864425","https://openalex.org/W3011064571","https://openalex.org/W3024314398"],"related_works":["https://openalex.org/W4385971672","https://openalex.org/W2922150312","https://openalex.org/W2790746291","https://openalex.org/W2330606537","https://openalex.org/W3159866968","https://openalex.org/W979727734","https://openalex.org/W4382395674","https://openalex.org/W3108361461","https://openalex.org/W3045691659","https://openalex.org/W4220993474"],"abstract_inverted_index":{"Electronegativity":[0],"of":[1,7,19],"transition":[2],"metal":[3],"dominates":[4],"the":[5,16],"type":[6],"H":[8],"species,":[9],"which":[10],"has":[11],"an":[12],"important":[13],"effect":[14],"on":[15],"path":[17],"choice":[18],"CO":[20],"2":[21],"hydrogenation.":[22]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":9},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":1}],"updated_date":"2026-10-12T09:40:04.860316","created_date":"2020-07-16T00:00:00"}
