{"created":"2023-05-15T12:00:49.152091+00:00","id":7779,"links":{},"metadata":{"_buckets":{"deposit":"a69c110b-6889-47d3-a26c-d00fecaeb082"},"_deposit":{"created_by":3,"id":"7779","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"7779"},"status":"published"},"_oai":{"id":"oai:kyutech.repo.nii.ac.jp:00007779","sets":["8:24"]},"author_link":["34109","34117","34116","34118","34111","34110","34106","34108","6794","34115","34114","34107","34113"],"item_21_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2020-09-30","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"119589","bibliographicVolumeNumber":"282","bibliographic_titles":[{"bibliographic_title":"Applied Catalysis B: Environmental"}]}]},"item_21_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"A systematic investigation of electronic configuration and excitation properties is extremely urgent for establishing a guideline to boost H2O2 production with metal single-atom photocatalysts (M-SAPCs). Herein, a series of metal-ion incorporated M-SAPCs was prepared, isolating of three transition metals (Fe, Co, Ni) and two main-group metals (In, Sn) single site by pyridinic N atoms in polymeric carbon nitride (PCN) skeleton. The models in which metal ions are isolated by non-defected g-C3N4 units (Melem_3M) are consistent with the practically prepared M-SAPC in terms of band structures and electronic configurations. Transition density and molecular orbital analysis revealed that the atomically dispersed In (III) and Sn (IV) significantly improve the charge separation with an ideal electronic configuration for the end-on adsorption of oxygen for a boosted 2e−. The experimental charge separation properties and photocatalytic activities of M-SAPC showed good accordance with the computed charge transfer profiles of Melem_3 M, manifesting the rationalities and validities of as-proposed guidelines.","subitem_description_type":"Abstract"}]},"item_21_description_60":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"subitem_description":"Journal Article","subitem_description_type":"Other"}]},"item_21_full_name_3":{"attribute_name":"著者別名","attribute_value_mlt":[{"nameIdentifiers":[{"nameIdentifier":"34113","nameIdentifierScheme":"WEKO"}],"names":[{"name":"Teng,  Z."}]},{"nameIdentifiers":[{"nameIdentifier":"34114","nameIdentifierScheme":"WEKO"}],"names":[{"name":"Cai,  W."}]},{"nameIdentifiers":[{"nameIdentifier":"34115","nameIdentifierScheme":"WEKO"}],"names":[{"name":"Sim,  W."}]},{"nameIdentifiers":[{"nameIdentifier":"34116","nameIdentifierScheme":"WEKO"}],"names":[{"name":"Zhang,  Q."}]},{"nameIdentifiers":[{"nameIdentifier":"34117","nameIdentifierScheme":"WEKO"}],"names":[{"name":"Wang,  C."}]},{"nameIdentifiers":[{"nameIdentifier":"34118","nameIdentifierScheme":"WEKO"}],"names":[{"name":"Su,  C."}]},{"affiliations":[{"affiliationNames":[{"affiliationName":"","lang":"ja"}],"nameIdentifiers":[]}],"familyNames":[{"familyName":"Ohno","familyNameLang":"en"},{"familyName":"横野","familyNameLang":"ja"},{"familyName":"オウノ","familyNameLang":"ja-Kana"}],"givenNames":[{"givenName":"Teruhisa","givenNameLang":"en"},{"givenName":"照尚","givenNameLang":"ja"},{"givenName":"テルヒサ","givenNameLang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"6794","nameIdentifierScheme":"WEKO"},{"nameIdentifier":"10203887","nameIdentifierScheme":"e-Rad","nameIdentifierURI":"https://nrid.nii.ac.jp/ja/nrid/1000010203887"},{"nameIdentifier":"7402659316","nameIdentifierScheme":"Scopus著者ID","nameIdentifierURI":"https://www.scopus.com/authid/detail.uri?authorId=7402659316"},{"nameIdentifier":"0000-0002-7825-8189","nameIdentifierScheme":"ORCiD","nameIdentifierURI":"https://orcid.org/0000-0002-7825-8189"},{"nameIdentifier":"98","nameIdentifierScheme":"九工大研究者情報","nameIdentifierURI":"https://hyokadb02.jimu.kyutech.ac.jp/html/98_ja.html"}],"names":[{"name":"Ohno, Teruhisa","nameLang":"en"},{"name":"横野, 照尚","nameLang":"ja"},{"name":"オウノ, テルヒサ","nameLang":"ja-Kana"}]}]},"item_21_link_62":{"attribute_name":"研究者情報","attribute_value_mlt":[{"subitem_link_url":"https://hyokadb02.jimu.kyutech.ac.jp/html/98_ja.html"}]},"item_21_publisher_7":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Elsevier"}]},"item_21_relation_12":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1016/j.apcatb.2020.119589","subitem_relation_type_select":"DOI"}}]},"item_21_rights_13":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"Copyright (c) 2020 Elsevier B.V. All rights reserved."}]},"item_21_select_59":{"attribute_name":"査読の有無","attribute_value_mlt":[{"subitem_select_item":"yes"}]},"item_21_source_id_8":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0926-3373","subitem_source_identifier_type":"ISSN"}]},"item_21_subject_16":{"attribute_name":"日本十進分類法","attribute_value_mlt":[{"subitem_subject":"572","subitem_subject_scheme":"NDC"}]},"item_21_text_28":{"attribute_name":"論文ID（連携）","attribute_value_mlt":[{"subitem_text_value":"10367942"}]},"item_21_text_36":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"Kyushu Institute of Technology, Joint Laboratory of Yangzhou University, Kyushu Institute of Technology"},{"subitem_text_value":"Kyushu Institute of Technology"},{"subitem_text_value":"Kyushu Institute of Technology"},{"subitem_text_value":"Shenzhen University"},{"subitem_text_value":"Yangzhou University, Joint Laboratory of Yangzhou University, Kyushu Institute of Technology"},{"subitem_text_value":"Shenzhen University"},{"subitem_text_value":"Kyushu Institute of Technology, Joint Laboratory of Yangzhou University, Kyushu Institute of Technology"}]},"item_21_text_63":{"attribute_name":"連携ID","attribute_value_mlt":[{"subitem_text_value":"9031"}]},"item_21_version_type_58":{"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":"Teng,  Zhenyuan"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Cai,  Wenan"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Sim,  Wenwen"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Zhang,  Qitao"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Wang,  Chengyin"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Su,  Chenliang"}],"nameIdentifiers":[{}]},{"creatorAffiliations":[{"affiliationNameIdentifiers":[],"affiliationNames":[{"affiliationName":""}]}],"creatorNames":[{"creatorName":"Ohno, Teruhisa","creatorNameLang":"en"},{"creatorName":"横野, 照尚","creatorNameLang":"ja"},{"creatorName":"オウノ, テルヒサ","creatorNameLang":"ja-Kana"}],"familyNames":[{},{},{}],"givenNames":[{},{},{}],"nameIdentifiers":[{},{},{},{},{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2022-09-30"}],"displaytype":"detail","filename":"10367942.pdf","filesize":[{"value":"1.5 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"10367942.pdf","url":"https://kyutech.repo.nii.ac.jp/record/7779/files/10367942.pdf"},"version_id":"286665af-8679-4e0a-b69d-ec8c78d8afc3"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"Photocatalysis","subitem_subject_scheme":"Other"},{"subitem_subject":"Oxygen reduction reaction","subitem_subject_scheme":"Other"},{"subitem_subject":"H2O2 production","subitem_subject_scheme":"Other"},{"subitem_subject":"Single-atom catalyst","subitem_subject_scheme":"Other"},{"subitem_subject":"Time-dependent density functional theory","subitem_subject_scheme":"Other"}]},"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":"Photoexcited single metal atom catalysts for heterogeneous photocatalytic H2O2 production: Pragmatic guidelines for predicting charge separation","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Photoexcited single metal atom catalysts for heterogeneous photocatalytic H2O2 production: Pragmatic guidelines for predicting charge separation"}]},"item_type_id":"21","owner":"3","path":["24"],"pubdate":{"attribute_name":"公開日","attribute_value":"2022-09-30"},"publish_date":"2022-09-30","publish_status":"0","recid":"7779","relation_version_is_last":true,"title":["Photoexcited single metal atom catalysts for heterogeneous photocatalytic H2O2 production: Pragmatic guidelines for predicting charge separation"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2023-10-25T07:52:22.052677+00:00"}