{"id":"https://openalex.org/W1980597720","doi":"https://doi.org/10.1155/2015/262513","title":"DFT Study on Adiabatic and Vertical Ionization Potentials of Graphene Sheets","display_name":"DFT Study on Adiabatic and Vertical Ionization Potentials of Graphene Sheets","publication_year":2015,"publication_date":"2015-01-01","ids":{"openalex":"https://openalex.org/W1980597720","doi":"https://doi.org/10.1155/2015/262513","mag":"1980597720"},"language":"en","primary_location":{"id":"doi:10.1155/2015/262513","doi":"https://doi.org/10.1155/2015/262513","is_oa":true,"landing_page_url":"https://doi.org/10.1155/2015/262513","pdf_url":"https://downloads.hindawi.com/journals/amse/2015/262513.pdf","source":{"id":"https://openalex.org/S155241436","display_name":"Advances in Materials Science and Engineering","issn_l":"1687-8434","issn":["1687-8434","1687-8442"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","poland-20"],"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869","https://openalex.org/P4310320595"],"host_organization_lineage_names":["Hindawi Publishing Corporation","Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Advances in Materials Science and Engineering","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://downloads.hindawi.com/journals/amse/2015/262513.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5084192101","display_name":"\u041f\u0435\u0442\u0440\u0443\u0448\u0435\u043d\u043a\u043e \u0418\u0433\u043e\u0440\u044c \u041a\u043e\u043d\u0441\u0442\u0430\u043d\u0442\u0438\u043d\u043e\u0432\u0438\u0447","orcid":"https://orcid.org/0000-0002-0860-8913","observed_orcids":["https://orcid.org/0000-0002-0860-8913"]},"institutions":[{"id":"https://openalex.org/I4210122217","display_name":"Irkutsk National Research Technical University","ror":"https://ror.org/01zzkcm34","country_code":"RU","type":"education","lineage":["https://openalex.org/I4210122217"]}],"countries":["RU"],"is_corresponding":true,"raw_author_name":"Igor K. Petrushenko","raw_affiliation_strings":["Physical and Technical Institute, Irkutsk State Technical University, 83 Lermontov Street, Irkutsk 664074, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Physical and Technical Institute, Irkutsk State Technical University, 83 Lermontov Street, Irkutsk 664074, Russia","institution_ids":["https://openalex.org/I4210122217"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5084192101"],"corresponding_institution_ids":["https://openalex.org/I4210122217"],"apc_list":{"value":2670,"currency":"USD","value_usd":2670},"apc_paid":{"value":2670,"currency":"USD","value_usd":2670},"fwci":0.925,"has_fulltext":true,"cited_by_count":16,"citation_normalized_percentile":{"value":0.68722765,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":97},"biblio":{"volume":"2015","issue":null,"first_page":"1","last_page":"7"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10083","display_name":"Graphene research and applications","score":0.9688000082969666,"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/T10083","display_name":"Graphene research and applications","score":0.9688000082969666,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.027799999341368675,"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/T13531","display_name":"Surface and Thin Film Phenomena","score":0.00039999998989515007,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/graphene-sheets","display_name":"graphene sheets","score":0.800000011920929},{"id":"https://openalex.org/keywords/adiabatic-ionization-potential","display_name":"adiabatic ionization potential","score":0.972000002861023},{"id":"https://openalex.org/keywords/vertical-ionization-energies","display_name":"vertical ionization potential","score":0.9980000257492065},{"id":"https://openalex.org/keywords/coronene","display_name":"coronene","score":0.9150000214576721},{"id":"https://openalex.org/keywords/bond-length-alternation","display_name":"bond alternation","score":0.7870000004768372},{"id":"https://openalex.org/keywords/work-function","display_name":"work function","score":0.8289999961853027}],"concepts":[{"id":"https://openalex.org/C30080830","wikidata":"https://www.wikidata.org/wiki/Q169917","display_name":"Graphene","level":2,"score":0.927046000957489},{"id":"https://openalex.org/C109663097","wikidata":"https://www.wikidata.org/wiki/Q182453","display_name":"Adiabatic process","level":2,"score":0.8052114248275757},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.799704909324646},{"id":"https://openalex.org/C198291218","wikidata":"https://www.wikidata.org/wiki/Q190382","display_name":"Ionization","level":3,"score":0.7047524452209473},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5679340362548828},{"id":"https://openalex.org/C115235246","wikidata":"https://www.wikidata.org/wiki/Q783800","display_name":"Work function","level":3,"score":0.5500491857528687},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.4261510968208313},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.42156997323036194},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.41977548599243164},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.4172137379646301},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.33537784218788147},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.19862022995948792},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.18779101967811584},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.12376117706298828},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1195865273475647},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.07406893372535706},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.06947252154350281},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.06273141503334045},{"id":"https://openalex.org/C2779227376","wikidata":"https://www.wikidata.org/wiki/Q6505497","display_name":"Layer (electronics)","level":2,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1155/2015/262513","doi":"https://doi.org/10.1155/2015/262513","is_oa":true,"landing_page_url":"https://doi.org/10.1155/2015/262513","pdf_url":"https://downloads.hindawi.com/journals/amse/2015/262513.pdf","source":{"id":"https://openalex.org/S155241436","display_name":"Advances in Materials Science and Engineering","issn_l":"1687-8434","issn":["1687-8434","1687-8442"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","poland-20"],"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869","https://openalex.org/P4310320595"],"host_organization_lineage_names":["Hindawi Publishing Corporation","Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Advances in Materials Science and Engineering","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:82c2e73a2ef9407e9abfb77781d67f76","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/82c2e73a2ef9407e9abfb77781d67f76","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","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":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Advances in Materials Science and Engineering, Vol 2015 (2015)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1155/2015/262513","doi":"https://doi.org/10.1155/2015/262513","is_oa":true,"landing_page_url":"https://doi.org/10.1155/2015/262513","pdf_url":"https://downloads.hindawi.com/journals/amse/2015/262513.pdf","source":{"id":"https://openalex.org/S155241436","display_name":"Advances in Materials Science and Engineering","issn_l":"1687-8434","issn":["1687-8434","1687-8442"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","poland-20"],"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869","https://openalex.org/P4310320595"],"host_organization_lineage_names":["Hindawi Publishing Corporation","Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Advances in Materials Science and Engineering","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320310965","display_name":"Slovak Academic Information Agency","ror":"https://ror.org/044n2fv18"},{"id":"https://openalex.org/F4320321079","display_name":"Russian Foundation for Basic Research","ror":"https://ror.org/02mh1ke95"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1980597720.pdf","grobid_xml":"https://content.openalex.org/works/W1980597720.grobid-xml"},"referenced_works_count":45,"referenced_works":["https://openalex.org/W11476871","https://openalex.org/W1966361007","https://openalex.org/W1973618262","https://openalex.org/W1987602354","https://openalex.org/W1990188847","https://openalex.org/W1991384072","https://openalex.org/W2005673839","https://openalex.org/W2006478550","https://openalex.org/W2011651313","https://openalex.org/W2012304502","https://openalex.org/W2012478259","https://openalex.org/W2012661507","https://openalex.org/W2014708584","https://openalex.org/W2018858346","https://openalex.org/W2024468631","https://openalex.org/W2027125086","https://openalex.org/W2033153816","https://openalex.org/W2042139556","https://openalex.org/W2045538607","https://openalex.org/W2048752671","https://openalex.org/W2050617728","https://openalex.org/W2054402773","https://openalex.org/W2055311839","https://openalex.org/W2058122340","https://openalex.org/W2058210956","https://openalex.org/W2061686925","https://openalex.org/W2063862986","https://openalex.org/W2064888682","https://openalex.org/W2066212398","https://openalex.org/W2067718414","https://openalex.org/W2067923678","https://openalex.org/W2072214543","https://openalex.org/W2073159724","https://openalex.org/W2074309598","https://openalex.org/W2086003366","https://openalex.org/W2086122257","https://openalex.org/W2097065367","https://openalex.org/W2121621337","https://openalex.org/W2124277227","https://openalex.org/W2141574500","https://openalex.org/W2151718136","https://openalex.org/W2155452762","https://openalex.org/W2321448359","https://openalex.org/W2323953413","https://openalex.org/W2951442892"],"related_works":["https://openalex.org/W1977263828","https://openalex.org/W2891350178","https://openalex.org/W2513313279","https://openalex.org/W2050315976","https://openalex.org/W3119952560","https://openalex.org/W2766496342","https://openalex.org/W2016938359","https://openalex.org/W2887305627","https://openalex.org/W3009962956","https://openalex.org/W2166728132"],"abstract_inverted_index":{"Adiabatic":[0],"and":[1,33,66],"vertical":[2,32],"ionization":[3,51],"potentials":[4],"(IPs)":[5],"of":[6,13,25,59,63,73,97,99],"finite-size":[7],"graphene":[8,26,88,100],"sheets":[9,62,101],"as":[10,42],"a":[11,27,43],"function":[12],"size":[14,92],"were":[15],"determined":[16],"by":[17],"using":[18],"density":[19,83],"functional":[20],"theory.":[21],"In":[22],"the":[23,57,60,80,86],"case":[24],"very":[28],"moderate":[29],"gap":[30],"between":[31],"adiabatic":[34],"IPs":[35,98],"was":[36,76,106],"observed,":[37],"whereas":[38],"for":[39],"coronene":[40],"molecule":[41],"model":[44],"compound":[45],"these":[46],"values":[47],"differ":[48],"considerably.":[49],"The":[50,95],"process":[52],"induces":[53],"large":[54],"changes":[55],"in":[56,85],"structure":[58],"studied":[61],"graphene;":[64],"\u201chorizontal\u201d":[65],"\u201cvertical\u201d":[67],"bond":[68],"lengths":[69],"have":[70],"different":[71],"patterns":[72],"alternation.":[74],"It":[75],"also":[77],"established":[78],"that":[79],"HOMO":[81],"electron":[82],"distribution":[84],"neutral":[87],"sheet":[89],"affects":[90],"its":[91],"upon":[93],"ionization.":[94],"evolution":[96],"towards":[102],"their":[103],"work":[104],"functions":[105],"discussed.":[107]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":2}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2016-06-24T00:00:00"}
