{"created":"2023-06-19T09:17:18.893349+00:00","id":29942,"links":{},"metadata":{"_buckets":{"deposit":"74bedf3a-bccb-4433-bb11-a98ebd3f8b77"},"_deposit":{"created_by":12,"id":"29942","owners":[12],"pid":{"revision_id":0,"type":"depid","value":"29942"},"status":"published"},"_oai":{"id":"oai:kumadai.repo.nii.ac.jp:00029942","sets":["448:538","585:614:1054"]},"author_link":["155682","155683","165909","155681"],"item_15_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2017","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"2","bibliographicPageEnd":"80","bibliographicPageStart":"75","bibliographicVolumeNumber":"14","bibliographic_titles":[{"bibliographic_title":"Physics Reports of Kumamoto University","bibliographic_titleLang":"en"}]}]},"item_15_description_5":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"Titania nanosheets (TNSs) are expected to lead to higher photocatalytic performance than bulk TiO2 because its high reactivity arises from the two-dimensional structure. Since physical properties of two-dimensional materials are susceptible to vacancies, it is essential to examine effects of vacancies on the electronic states of TNSs. In this study, we have investigated the electronic structures of TNSs with various types of vacancies based on first-principles calculations. It is confirmed that single-bonded oxygen atoms around a Ti vacancy greatly contribute to a bandgap narrowing and have high reactivity. In addition, it is suggested that the accurate discussion about the TNS with large-area vacancies requires the first-principles simulations using a larger system because Ti atoms around the large-area vacancies make bonds with adjacent Ti atom over the periodic boundary condition.","subitem_description_language":"en","subitem_description_type":"Other"}]},"item_15_publisher_36":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"熊本大学","subitem_publisher_language":"ja"}]},"item_15_source_id_7":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0303-4070","subitem_source_identifier_type":"PISSN"}]},"item_15_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA00774081","subitem_source_identifier_type":"NCID"}]},"item_15_subject_20":{"attribute_name":"日本十進分類法","attribute_value_mlt":[{"subitem_subject":"459.9","subitem_subject_scheme":"NDC"}]},"item_15_version_type_19":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Uchida, Yuichi","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"155682","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Hara, Masahiro","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"155683","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Funatsu, Asami","creatorNameLang":"en"},{"creatorName":"船津, 麻美","creatorNameLang":"ja"},{"creatorName":"フナツ, アサミ","creatorNameLang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"165909","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Shimojo, Fuyuki","creatorNameLang":"en"},{"creatorName":"下條, 冬樹","creatorNameLang":"ja"},{"creatorName":"シモジョウ, フユキ","creatorNameLang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"155681","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2020-03-02"}],"displaytype":"detail","filename":"PR0014_075-080.pdf","filesize":[{"value":"817.6 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"PR0014_075-080.pdf","url":"https://kumadai.repo.nii.ac.jp/record/29942/files/PR0014_075-080.pdf"},"version_id":"9c06e515-f620-4d87-8a06-9942a862e968"}]},"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":"departmental bulletin paper","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Electronic structure of titania nanosheets with vacancies based on first-principles calculations","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Electronic structure of titania nanosheets with vacancies based on first-principles calculations","subitem_title_language":"en"}]},"item_type_id":"15","owner":"12","path":["538","1054"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2017-06-13"},"publish_date":"2017-06-13","publish_status":"0","recid":"29942","relation_version_is_last":true,"title":["Electronic structure of titania nanosheets with vacancies based on first-principles calculations"],"weko_creator_id":"12","weko_shared_id":-1},"updated":"2023-10-18T04:57:15.457957+00:00"}