{"id":"https://openalex.org/W3214946321","doi":"https://doi.org/10.1016/j.physleta.2021.127842","title":"A DFT computational prediction of 2H phase W2C monolayer and the effect of O functional groups","display_name":"A DFT computational prediction of 2H phase W2C monolayer and the effect of O functional groups","publication_year":2021,"publication_date":"2021-11-22","ids":{"openalex":"https://openalex.org/W3214946321","doi":"https://doi.org/10.1016/j.physleta.2021.127842","mag":"3214946321"},"language":"en","primary_location":{"id":"doi:10.1016/j.physleta.2021.127842","doi":"https://doi.org/10.1016/j.physleta.2021.127842","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.physleta.2021.127842","pdf_url":null,"source":{"id":"https://openalex.org/S104875562","display_name":"Physics Letters A","issn_l":"0375-9601","issn":["0375-9601","1873-2429"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-2"],"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":"Physics Letters A","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/A5100446912","display_name":"Jiahui Wang","orcid":"https://orcid.org/0000-0002-4800-2772","observed_orcids":["https://orcid.org/0000-0002-4800-2772"]},"institutions":[{"id":"https://openalex.org/I134052481","display_name":"Harbin Normal University","ror":"https://ror.org/0270y6950","country_code":"CN","type":"education","lineage":["https://openalex.org/I134052481"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jiahui Wang","raw_affiliation_strings":["Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025, China","institution_ids":["https://openalex.org/I134052481"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037295972","display_name":"Lina Bai","orcid":"https://orcid.org/0000-0002-4715-9508","observed_orcids":["https://orcid.org/0000-0002-4715-9508"]},"institutions":[{"id":"https://openalex.org/I134052481","display_name":"Harbin Normal University","ror":"https://ror.org/0270y6950","country_code":"CN","type":"education","lineage":["https://openalex.org/I134052481"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Lina Bai","raw_affiliation_strings":["Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025, China","institution_ids":["https://openalex.org/I134052481"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090100592","display_name":"Cheng\u2010Bao Yao","orcid":"https://orcid.org/0000-0002-1661-1805","observed_orcids":["https://orcid.org/0000-0002-1661-1805"]},"institutions":[{"id":"https://openalex.org/I134052481","display_name":"Harbin Normal University","ror":"https://ror.org/0270y6950","country_code":"CN","type":"education","lineage":["https://openalex.org/I134052481"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chengbao Yao","raw_affiliation_strings":["Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025, China","institution_ids":["https://openalex.org/I134052481"]}]},{"author_position":"last","author":{"id":null,"display_name":"Li Niu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I134052481","display_name":"Harbin Normal University","ror":"https://ror.org/0270y6950","country_code":"CN","type":"education","lineage":["https://openalex.org/I134052481"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Li Niu","raw_affiliation_strings":["Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025, China","institution_ids":["https://openalex.org/I134052481"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5037295972"],"corresponding_institution_ids":["https://openalex.org/I134052481"],"apc_list":{"value":2520,"currency":"USD","value_usd":2520},"apc_paid":null,"fwci":0.7104,"has_fulltext":false,"cited_by_count":22,"citation_normalized_percentile":{"value":0.60198133,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"424","issue":null,"first_page":"127842","last_page":"127842"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12046","display_name":"MXene and MAX Phase Materials","score":0.9976000189781189,"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/T12046","display_name":"MXene and MAX Phase Materials","score":0.9976000189781189,"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/T10275","display_name":"2D Materials and Applications","score":0.002199999988079071,"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/T11948","display_name":"Machine Learning in Materials Science","score":9.999999747378752e-05,"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/mxene","display_name":"MXene","score":0.9269999861717224},{"id":"https://openalex.org/keywords/oxygen-functionalization","display_name":"oxygen functionalization","score":0.8529999852180481},{"id":"https://openalex.org/keywords/structural-stability","display_name":"structural stability","score":0.871999979019165},{"id":"https://openalex.org/keywords/lattice-dynamics","display_name":"lattice dynamics","score":0.9380000233650208},{"id":"https://openalex.org/keywords/mechanical-properties","display_name":"mechanical properties","score":0.984000027179718},{"id":"https://openalex.org/keywords/young-s-modulus","display_name":"Young's modulus","score":0.968999981880188},{"id":"https://openalex.org/keywords/thermal-conductivity","display_name":"thermal conductivity","score":0.9120000004768372},{"id":"https://openalex.org/keywords/electronic-structure","display_name":"electronic structure","score":0.9340000152587891},{"id":"https://openalex.org/keywords/spin-orbit-coupling","display_name":"spin-orbit coupling","score":0.9660000205039978},{"id":"https://openalex.org/keywords/band-gap","display_name":"band gap","score":0.9150000214576721},{"id":"https://openalex.org/keywords/spin-splitting","display_name":"spin splitting","score":0.9409999847412109}],"concepts":[{"id":"https://openalex.org/C2776453213","wikidata":"https://www.wikidata.org/wiki/Q25303690","display_name":"MXenes","level":2,"score":0.9420723915100098},{"id":"https://openalex.org/C115537861","wikidata":"https://www.wikidata.org/wiki/Q7645993","display_name":"Surface modification","level":2,"score":0.7665097713470459},{"id":"https://openalex.org/C7070889","wikidata":"https://www.wikidata.org/wiki/Q902488","display_name":"Monolayer","level":2,"score":0.6901828050613403},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5422317981719971},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.5397804975509644},{"id":"https://openalex.org/C30080830","wikidata":"https://www.wikidata.org/wiki/Q169917","display_name":"Graphene","level":2,"score":0.5137070417404175},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.5131043195724487},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.4905816614627838},{"id":"https://openalex.org/C108225325","wikidata":"https://www.wikidata.org/wiki/Q11456","display_name":"Semiconductor","level":2,"score":0.48358720541000366},{"id":"https://openalex.org/C94406020","wikidata":"https://www.wikidata.org/wiki/Q900371","display_name":"Bulk modulus","level":2,"score":0.48268890380859375},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.45178067684173584},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4196370244026184},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.4175414443016052},{"id":"https://openalex.org/C125469278","wikidata":"https://www.wikidata.org/wiki/Q806380","display_name":"Electronic band structure","level":2,"score":0.4106544852256775},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.2955131530761719},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.28674471378326416},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.24163809418678284},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2397456169128418},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.16821077466011047},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.1666976511478424},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.09263578057289124},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.physleta.2021.127842","doi":"https://doi.org/10.1016/j.physleta.2021.127842","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.physleta.2021.127842","pdf_url":null,"source":{"id":"https://openalex.org/S104875562","display_name":"Physics Letters A","issn_l":"0375-9601","issn":["0375-9601","1873-2429"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-2"],"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":"Physics Letters A","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G2361197843","display_name":null,"funder_award_id":"LH2021A016","funder_id":"https://openalex.org/F4320323085","funder_display_name":"Natural Science Foundation of Heilongjiang Province"},{"id":"https://openalex.org/G4262607881","display_name":"Nbn+1CnTx\u57fa\u94a0\u79bb\u5b50\u6df7\u5408\u7535\u5bb9\u5668\u7535\u6781\u7684\u8bbe\u8ba1\u53ca\u50a8\u80fd\u7279\u6027\u7814\u7a76","funder_award_id":"51772070","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6108570450","display_name":"\u57fa\u4e8eNafion/LixY(Y\uff1aF\u3001N\u3001O\u3001P)\u590d\u5408\u6750\u6599\u6784\u9020Li-S\u7535\u6c60\u4e2d\u9502\u8d1f\u6781\u4eba\u5de5SEI\u819c\u53ca\u5176\u7a33\u5b9a\u6027\u7684\u7814\u7a76","funder_award_id":"52072099","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G7739317554","display_name":"\u57fa\u4e8e3D MXene \u7eb3\u7c73\u7ed3\u6784\u6784\u7b51Li-S\u7535\u6c60\u7684\u6b63\u6781\u6750\u6599\u53ca\u5176\u7535\u5316\u5b66\u6027\u80fd\u7684\u7814\u7a76","funder_award_id":"51772069","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G838869615","display_name":null,"funder_award_id":"2020-KYYWF-0352","funder_id":"https://openalex.org/F4320328098","funder_display_name":"Harbin Normal University"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320323085","display_name":"Natural Science Foundation of Heilongjiang Province","ror":null},{"id":"https://openalex.org/F4320328098","display_name":"Harbin Normal University","ror":"https://ror.org/0270y6950"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":39,"referenced_works":["https://openalex.org/W832976576","https://openalex.org/W1550186202","https://openalex.org/W1637727845","https://openalex.org/W1796906343","https://openalex.org/W1967596824","https://openalex.org/W1979544533","https://openalex.org/W1981368803","https://openalex.org/W1986147552","https://openalex.org/W1998866028","https://openalex.org/W2002133940","https://openalex.org/W2004117188","https://openalex.org/W2007395042","https://openalex.org/W2014451195","https://openalex.org/W2016383440","https://openalex.org/W2083222334","https://openalex.org/W2188113731","https://openalex.org/W2314532615","https://openalex.org/W2335373519","https://openalex.org/W2468739485","https://openalex.org/W2479135428","https://openalex.org/W2502839947","https://openalex.org/W2590846030","https://openalex.org/W2607478806","https://openalex.org/W2620263069","https://openalex.org/W2798004195","https://openalex.org/W2921629713","https://openalex.org/W2943926608","https://openalex.org/W2976029289","https://openalex.org/W3007932150","https://openalex.org/W3014335985","https://openalex.org/W3020799238","https://openalex.org/W3028796582","https://openalex.org/W3038025793","https://openalex.org/W3043581673","https://openalex.org/W3088886457","https://openalex.org/W3136722556","https://openalex.org/W3206606417","https://openalex.org/W6777841730","https://openalex.org/W6791338513"],"related_works":["https://openalex.org/W4407256063","https://openalex.org/W2976029289","https://openalex.org/W2744507271","https://openalex.org/W2507597753","https://openalex.org/W2808925261","https://openalex.org/W1796906343","https://openalex.org/W3049613152","https://openalex.org/W7161911818","https://openalex.org/W4283787769","https://openalex.org/W4400686164"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":8},{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2021-12-06T00:00:00"}