{"id":"https://openalex.org/W4293576642","doi":"https://doi.org/10.2139/ssrn.4203167","title":"Hydrogen Evolution Reaction of Ben+H2o (N=5-9) Based on Density Functional Theory","display_name":"Hydrogen Evolution Reaction of Ben+H2o (N=5-9) Based on Density Functional Theory","publication_year":2022,"publication_date":"2022-01-01","ids":{"openalex":"https://openalex.org/W4293576642","doi":"https://doi.org/10.2139/ssrn.4203167"},"language":"en","primary_location":{"id":"doi:10.2139/ssrn.4203167","doi":"https://doi.org/10.2139/ssrn.4203167","is_oa":true,"landing_page_url":"https://doi.org/10.2139/ssrn.4203167","pdf_url":null,"source":{"id":"https://openalex.org/S4210172589","display_name":"SSRN Electronic Journal","issn_l":"1556-5068","issn":["1556-5068"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1318003438","host_organization_name":"RELX Group (Netherlands)","host_organization_lineage":["https://openalex.org/I1318003438"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"SSRN Electronic Journal","raw_type":"journal-article"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.2139/ssrn.4203167","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5029091856","display_name":"Kai Diao","orcid":"https://orcid.org/0000-0002-1332-5133","observed_orcids":["https://orcid.org/0000-0002-1332-5133"]},"institutions":[{"id":"https://openalex.org/I31595395","display_name":"Chengdu University of Technology","ror":"https://ror.org/05pejbw21","country_code":"CN","type":"education","lineage":["https://openalex.org/I31595395"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Kai Diao","raw_affiliation_strings":["Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","Chengdu University of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","institution_ids":["https://openalex.org/I31595395"]},{"raw_affiliation_string":"Chengdu University of Technology","institution_ids":["https://openalex.org/I31595395"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007733469","display_name":"Shunping Shi","orcid":"https://orcid.org/0000-0002-6755-4601","observed_orcids":["https://orcid.org/0000-0002-6755-4601"]},"institutions":[{"id":"https://openalex.org/I31595395","display_name":"Chengdu University of Technology","ror":"https://ror.org/05pejbw21","country_code":"CN","type":"education","lineage":["https://openalex.org/I31595395"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Shunping Shi","raw_affiliation_strings":["Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","Chengdu University of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","institution_ids":["https://openalex.org/I31595395"]},{"raw_affiliation_string":"Chengdu University of Technology","institution_ids":["https://openalex.org/I31595395"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100651809","display_name":"Yong Hua Song","orcid":"https://orcid.org/0000-0003-2505-2766","observed_orcids":["https://orcid.org/0000-0003-2505-2766"]},"institutions":[{"id":"https://openalex.org/I31595395","display_name":"Chengdu University of Technology","ror":"https://ror.org/05pejbw21","country_code":"CN","type":"education","lineage":["https://openalex.org/I31595395"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yong Song","raw_affiliation_strings":["Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","Chengdu University of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","institution_ids":["https://openalex.org/I31595395"]},{"raw_affiliation_string":"Chengdu University of Technology","institution_ids":["https://openalex.org/I31595395"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102642493","display_name":"Leilei Tang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I31595395","display_name":"Chengdu University of Technology","ror":"https://ror.org/05pejbw21","country_code":"CN","type":"education","lineage":["https://openalex.org/I31595395"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Leilei Tang","raw_affiliation_strings":["Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","Chengdu University of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","institution_ids":["https://openalex.org/I31595395"]},{"raw_affiliation_string":"Chengdu University of Technology","institution_ids":["https://openalex.org/I31595395"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Jiabao Hu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I31595395","display_name":"Chengdu University of Technology","ror":"https://ror.org/05pejbw21","country_code":"CN","type":"education","lineage":["https://openalex.org/I31595395"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jiabao Hu","raw_affiliation_strings":["Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","Chengdu University of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","institution_ids":["https://openalex.org/I31595395"]},{"raw_affiliation_string":"Chengdu University of Technology","institution_ids":["https://openalex.org/I31595395"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Jing Jiang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I31595395","display_name":"Chengdu University of Technology","ror":"https://ror.org/05pejbw21","country_code":"CN","type":"education","lineage":["https://openalex.org/I31595395"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jing Jiang","raw_affiliation_strings":["Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","Chengdu University of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","institution_ids":["https://openalex.org/I31595395"]},{"raw_affiliation_string":"Chengdu University of Technology","institution_ids":["https://openalex.org/I31595395"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051848661","display_name":"Zhanjiang Duan","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I31595395","display_name":"Chengdu University of Technology","ror":"https://ror.org/05pejbw21","country_code":"CN","type":"education","lineage":["https://openalex.org/I31595395"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhanjiang Duan","raw_affiliation_strings":["Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","Chengdu University of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chengdu University of Technology, Sichuan Province Chengdu City, Huayang Youjian Lao Qu Zhengxi Street No.162, Chengdu 610059, Sichuan 610213, China","institution_ids":["https://openalex.org/I31595395"]},{"raw_affiliation_string":"Chengdu University of Technology","institution_ids":["https://openalex.org/I31595395"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5009585930","display_name":"Deliang Chen","orcid":"https://orcid.org/0000-0002-2076-8733","observed_orcids":["https://orcid.org/0000-0002-2076-8733","https://orcid.org/0000-0003-0288-5618"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Deliang Chen","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5007733469"],"corresponding_institution_ids":["https://openalex.org/I31595395"],"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/T10030","display_name":"Electrocatalysts for Energy Conversion","score":0.6304000020027161,"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"}},"topics":[{"id":"https://openalex.org/T10030","display_name":"Electrocatalysts for Energy Conversion","score":0.6304000020027161,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.20890000462532043,"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/T10811","display_name":"Hydrogen Storage and Materials","score":0.06030000001192093,"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/hydrogen-evolution-reaction","display_name":"hydrogen evolution reaction","score":0.9150000214576721},{"id":"https://openalex.org/keywords/beryllium-clusters","display_name":"beryllium clusters","score":0.9929999709129333},{"id":"https://openalex.org/keywords/adsorption-energy","display_name":"adsorption energy","score":0.7879999876022339},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"reaction mechanism","score":0.597000002861023},{"id":"https://openalex.org/keywords/transition-state","display_name":"transition state","score":0.9739999771118164},{"id":"https://openalex.org/keywords/cluster-structural-evolution","display_name":"cluster structural evolution","score":0.7649999856948853},{"id":"https://openalex.org/keywords/point-group-symmetry","display_name":"point group symmetry","score":0.8849999904632568}],"concepts":[{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.7647655010223389},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.4913753569126129},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3856527805328369},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.30423545837402344},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.10166284441947937}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.2139/ssrn.4203167","doi":"https://doi.org/10.2139/ssrn.4203167","is_oa":true,"landing_page_url":"https://doi.org/10.2139/ssrn.4203167","pdf_url":null,"source":{"id":"https://openalex.org/S4210172589","display_name":"SSRN Electronic Journal","issn_l":"1556-5068","issn":["1556-5068"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1318003438","host_organization_name":"RELX Group (Netherlands)","host_organization_lineage":["https://openalex.org/I1318003438"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"SSRN Electronic Journal","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.2139/ssrn.4203167","doi":"https://doi.org/10.2139/ssrn.4203167","is_oa":true,"landing_page_url":"https://doi.org/10.2139/ssrn.4203167","pdf_url":null,"source":{"id":"https://openalex.org/S4210172589","display_name":"SSRN Electronic Journal","issn_l":"1556-5068","issn":["1556-5068"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1318003438","host_organization_name":"RELX Group (Netherlands)","host_organization_lineage":["https://openalex.org/I1318003438"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"SSRN Electronic Journal","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4402946004","https://openalex.org/W4386488629","https://openalex.org/W4392246274","https://openalex.org/W4385782008","https://openalex.org/W4395688337","https://openalex.org/W2363707032","https://openalex.org/W1970262672","https://openalex.org/W2073210520","https://openalex.org/W2284452039","https://openalex.org/W1197162385"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-09-27T08:07:27.782135","created_date":"2022-08-30T00:00:00"}
