{"created":"2023-05-15T11:59:48.342310+00:00","id":6404,"links":{},"metadata":{"_buckets":{"deposit":"ac7c4695-85fe-4954-ba39-1280df083990"},"_deposit":{"created_by":3,"id":"6404","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"6404"},"status":"published"},"_oai":{"id":"oai:kyutech.repo.nii.ac.jp:00006404","sets":["8:24"]},"author_link":["6613","25466","21419","26821","26820"],"item_21_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2018-02-15","bibliographicIssueDateType":"Issued"},"bibliographicPageEnd":"121","bibliographicPageStart":"117","bibliographicVolumeNumber":"117","bibliographic_titles":[{"bibliographic_title":"Journal of Physics and Chemistry of Solids"}]}]},"item_21_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Organolead halide perovskite is regarded as the most promising light-harvesting material for next-generation solar cells; however, the intrinsic instability and toxicity of lead are still of great concern. Bismuth is ecofriendly and has electronic properties similar to those of lead, which has gradually attracted interest for optoelectronic applications. However, the valence state of bismuth is different from that of lead, eliminating the possibility of replacing lead by bismuth in organolead halide perovskites. To address this matter, one feasible strategy is to construct B-site double perovskites by the combination of Bi3+ and B+ in 1:1 ratio. In this work, lead-free halide double perovskites of the form Cs2NaBX6 (B = Sb, Bi; X = Cl, Br, I) were investigated by first-principles calculations. The electronic properties, optical absorption coefficients, and thermodynamic stability of these compounds were investigated to ascertain their potential application in solar energy conversion. The results provide theoretical support for the exploration of lead-free perovskite materials in potential optoelectronic applications.","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_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.jpcs.2018.02.032","subitem_relation_type_select":"DOI"}}]},"item_21_rights_13":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"Copyright (c) 2018 Elsevier Ltd. 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":"0022-3697","subitem_source_identifier_type":"ISSN"}]},"item_21_text_36":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"School of Science, Chongqing University of Technology, Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology"},{"subitem_text_value":"Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology"},{"subitem_text_value":"Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology"},{"subitem_text_value":"Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology"},{"subitem_text_value":"Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology"}]},"item_21_text_63":{"attribute_name":"連携ID","attribute_value_mlt":[{"subitem_text_value":"6974"}]},"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":"Zhao,  Shuai"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Yamamoto,  Kumiko"}],"nameIdentifiers":[{}]},{"creatorAffiliations":[{"affiliationNameIdentifiers":[],"affiliationNames":[{"affiliationName":""}]}],"creatorNames":[{"creatorName":"Iikubo, Satoshi","creatorNameLang":"en"},{"creatorName":"飯久保, 智","creatorNameLang":"ja"},{"creatorName":"イイクボ, サトシ","creatorNameLang":"ja-Kana"}],"familyNames":[{},{},{}],"givenNames":[{},{},{}],"nameIdentifiers":[{},{},{}]},{"creatorAffiliations":[{"affiliationNameIdentifiers":[],"affiliationNames":[{"affiliationName":""}]}],"creatorNames":[{"creatorName":"Hayase, Shuzi","creatorNameLang":"en"},{"creatorName":"早瀬, 修二","creatorNameLang":"ja"},{"creatorName":"ハヤセ, シュウジ","creatorNameLang":"ja-Kana"}],"familyNames":[{},{},{}],"givenNames":[{},{},{}],"nameIdentifiers":[{},{},{}]},{"creatorAffiliations":[{"affiliationNameIdentifiers":[],"affiliationNames":[{"affiliationName":""}]}],"creatorNames":[{"creatorName":"Ma, Tingli","creatorNameLang":"en"},{"creatorName":"馬, 廷麗","creatorNameLang":"ja"},{"creatorName":"マ, テイレイ","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":"2020-02-17"}],"displaytype":"detail","filename":"RCSLEC09.pdf","filesize":[{"value":"534.4 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"RCSLEC09.pdf","url":"https://kyutech.repo.nii.ac.jp/record/6404/files/RCSLEC09.pdf"},"version_id":"6a09c611-1c15-43ac-8aeb-0dd6251d1188"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"Lead-free perovskites","subitem_subject_scheme":"Other"},{"subitem_subject":"Electronic structure","subitem_subject_scheme":"Other"},{"subitem_subject":"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":"First-principles study of electronic and optical properties of lead-free double perovskites Cs2NaBX6 (B = Sb, Bi; X = Cl, Br, I)","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"First-principles study of electronic and optical properties of lead-free double perovskites Cs2NaBX6 (B = Sb, Bi; X = Cl, Br, I)"}]},"item_type_id":"21","owner":"3","path":["24"],"pubdate":{"attribute_name":"公開日","attribute_value":"2020-02-17"},"publish_date":"2020-02-17","publish_status":"0","recid":"6404","relation_version_is_last":true,"title":["First-principles study of electronic and optical properties of lead-free double perovskites Cs2NaBX6 (B = Sb, Bi; X = Cl, Br, I)"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2023-10-25T10:02:52.796300+00:00"}