{"created":"2023-05-15T08:43:52.135471+00:00","id":8997,"links":{},"metadata":{"_buckets":{"deposit":"e71a3135-c916-49ce-a5ae-375a2c33bc55"},"_deposit":{"created_by":13,"id":"8997","owners":[13],"pid":{"revision_id":0,"type":"depid","value":"8997"},"status":"published"},"_oai":{"id":"oai:uec.repo.nii.ac.jp:00008997","sets":["6"]},"author_link":["24494","24493","24492","24495"],"item_10001_biblio_info_7":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2018-01","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"1","bibliographicPageStart":"0102BA","bibliographicVolumeNumber":"57","bibliographic_titles":[{},{"bibliographic_title":"Japanese Journal of Applied Physics","bibliographic_titleLang":"en"}]}]},"item_10001_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"We have quantitatively investigated the relationship between the aromaticity and structural stability of graphene nanoflakes (GNFs) using first-principles calculations. The aromaticity of each six-membered ring of GNFs is evaluated with the nucleus-independent chemical shifts (NICS). We have found that for armchair-edge GNFs, the degree of stability, that is, the edge formation energy, is proportional to the average NICS for all six-membered rings. Even for nitrogen- and boron-doped GNFs, the average NICS strongly correlates with the doping formation energy. Our results indicate that NICS is a good measure not only for the aromaticity but also for the structural stability of pristine/doped nanographene systems.","subitem_description_type":"Abstract"}]},"item_10001_publisher_8":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"The Japan Society of Applied Physics "},{"subitem_publisher":"IOP Publishing"}]},"item_10001_relation_14":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"10.7567/JJAP.57.0102BA","subitem_relation_type_select":"DOI"}}]},"item_10001_relation_17":{"attribute_name":"関連サイト","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.7567/JJAP.57.0102BA","subitem_relation_type_select":"DOI"}}]},"item_10001_rights_15":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"© 2018 The Japan Society of Applied Physics. 本著作物の利用は,私的利用（著作権法第30条）および引用（著作権法第32条)の範囲内に限られる "}]},"item_10001_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0021-4922","subitem_source_identifier_type":"ISSN"}]},"item_10001_version_type_20":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Akaishi, Akira","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Ushirozako, Makoto","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Matsuyama, Haruyuki","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Nakamura, Jun","creatorNameLang":"en"}],"nameIdentifiers":[{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2019-03-11"}],"displaytype":"detail","filename":"aromatic_GNF_12.pdf","filesize":[{"value":"6.5 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"aromatic_GNF_12","url":"https://uec.repo.nii.ac.jp/record/8997/files/aromatic_GNF_12.pdf"},"version_id":"711db7dd-59e5-40b5-afab-ef3952aaa777"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Structural stability and aromaticity of pristine and doped graphene nanoflakes","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Structural stability and aromaticity of pristine and doped graphene nanoflakes","subitem_title_language":"en"}]},"item_type_id":"10001","owner":"13","path":["6"],"pubdate":{"attribute_name":"公開日","attribute_value":"2019-03-11"},"publish_date":"2019-03-11","publish_status":"0","recid":"8997","relation_version_is_last":true,"title":["Structural stability and aromaticity of pristine and doped graphene nanoflakes"],"weko_creator_id":"13","weko_shared_id":-1},"updated":"2023-05-15T10:30:42.104429+00:00"}