{"created":"2024-04-12T04:07:10.477754+00:00","id":2000499,"links":{},"metadata":{"_buckets":{"deposit":"4f2c0394-ba7f-4c9c-901d-eb02ceb89d0b"},"_deposit":{"created_by":14,"id":"2000499","owner":"14","owners":[14],"pid":{"revision_id":0,"type":"depid","value":"2000499"},"status":"published"},"_oai":{"id":"oai:kyutech.repo.nii.ac.jp:02000499","sets":["8:9"]},"author_link":["21419"],"control_number":"2000499","item_21_alternative_title_18":{"attribute_name":"その他のタイトル","attribute_value_mlt":[{"subitem_alternative_title":"Density Functional Theory Study of CuAg Bimetal Electrocatalyst for CO<inf>2</inf>RR to Produce CH<inf>3</inf>OH","subitem_alternative_title_language":"en"}]},"item_21_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2023-12-20","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"1","bibliographicPageStart":"7","bibliographicVolumeNumber":"14","bibliographic_titles":[{"bibliographic_title":"Catalysts","bibliographic_titleLang":"en"}]}]},"item_21_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Converting superfluous CO2 into value-added chemicals is regarded as a practical approach for alleviating the global warming problem. Powered by renewable electricity, CO2 reduction reactions (CO2RR) have attracted intense interest owing to their favorable efficiency. Metal catalysts exhibit high catalytic efficiency for CO2 reduction. However, the reaction mechanisms have yet to be investigated. In this study, CO2RR to CH3OH catalyzed by CuAg bimetal is theoretically investigated. The configurations and stability of the catalysts and the reaction pathway are studied. The results unveil the mechanisms of the catalysis process and prove the feasibility of CuAg clusters as efficient CO2RR catalysts, serving as guidance for further experimental exploration. This study provides guidance and a reference for future work in the design of mixed-metal catalysts with high CO2RR performance.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_21_link_62":{"attribute_name":"研究者情報","attribute_value_mlt":[{"subitem_link_url":"https://hyokadb02.jimu.kyutech.ac.jp/html/100000666_ja.html"}]},"item_21_publisher_7":{"attribute_name":"出版社","attribute_value_mlt":[{"subitem_publisher":"MDPI"}]},"item_21_relation_12":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isIdenticalTo","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.3390/catal14010007","subitem_relation_type_select":"DOI"}}]},"item_21_rights_13":{"attribute_name":"著作権関連情報","attribute_value_mlt":[{"subitem_rights":"Copyright (c) 2023 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license.","subitem_rights_resource":"https://creativecommons.org/licenses/by/4.0/"}]},"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":"2073-4344","subitem_source_identifier_type":"EISSN"}]},"item_21_text_28":{"attribute_name":"論文ID（連携）","attribute_value_mlt":[{"subitem_text_value":"10429573"}]},"item_21_text_63":{"attribute_name":"連携ID","attribute_value_mlt":[{"subitem_text_value":"12056"}]},"item_21_version_type_58":{"attribute_name":"出版タイプ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Xue, Sensen","creatorNameLang":"en"}]},{"creatorNames":[{"creatorName":"Liang, Xingyou","creatorNameLang":"en"}]},{"creatorNames":[{"creatorName":"Zhang, Qing","creatorNameLang":"en"}]},{"creatorNames":[{"creatorName":"Ren, Xuefeng","creatorNameLang":"en"}]},{"creatorNames":[{"creatorName":"Gao, Liguo","creatorNameLang":"en"}]},{"creatorNames":[{"creatorName":"Ma, Tingli","creatorNameLang":"en"},{"creatorName":"馬, 廷麗","creatorNameLang":"ja"}],"familyNames":[{},{}],"givenNames":[{},{}],"nameIdentifiers":[{},{},{},{},{}]},{"creatorNames":[{"creatorName":"Liu, Anmin","creatorNameLang":"en"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_access","date":[{"dateType":"Available","dateValue":"2024-04-12"}],"filename":"10429573.pdf","filesize":[{"value":"1.4 MB"}],"format":"application/pdf","mimetype":"application/pdf","url":{"url":"https://kyutech.repo.nii.ac.jp/record/2000499/files/10429573.pdf"},"version_id":"8f84e90a-36ee-4c0f-8f6c-34789e696f90"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"CuAg bimetal","subitem_subject_scheme":"Other"},{"subitem_subject":"CO2RR","subitem_subject_scheme":"Other"},{"subitem_subject":"pathway","subitem_subject_scheme":"Other"},{"subitem_subject":"theoretical study","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":"Density Functional Theory Study of CuAg Bimetal Electrocatalyst for CO2RR to Produce CH3OH","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Density Functional Theory Study of CuAg Bimetal Electrocatalyst for CO2RR to Produce CH3OH","subitem_title_language":"en"}]},"item_type_id":"21","owner":"14","path":["9"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2024-04-12"},"publish_date":"2024-04-12","publish_status":"0","recid":"2000499","relation_version_is_last":true,"title":["Density Functional Theory Study of CuAg Bimetal Electrocatalyst for CO2RR to Produce CH3OH"],"weko_creator_id":"14","weko_shared_id":-1},"updated":"2024-04-12T04:18:12.937878+00:00"}