{"created":"2023-07-25T04:46:23.927325+00:00","id":2006766,"links":{},"metadata":{"_buckets":{"deposit":"c6ace593-6df2-4783-a488-8bcc14b9e12e"},"_deposit":{"created_by":17,"id":"2006766","owner":"17","owners":[17],"pid":{"revision_id":0,"type":"depid","value":"2006766"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:02006766","sets":["320:321:322"]},"author_link":[],"control_number":"2006766","item_1615768549627":{"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_1629683748249":{"attribute_name":"日付","attribute_value_mlt":[{"subitem_date_issued_datetime":"2024-02-07","subitem_date_issued_type":"Available"}]},"item_9_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2023-02-07","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"5","bibliographicPageStart":"054701","bibliographicVolumeNumber":"158","bibliographic_titles":[{"bibliographic_title":"The Journal of Chemical Physics","bibliographic_titleLang":"en"}]}]},"item_9_description_4":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"We have investigated the interactions between C60 and (MoO3)n using scanning tunneling microscopy with spectroscopy (STM/STS) and ex situ ultraviolet–visible–near-infrared (UV–vis–NIR) spectroscopy in combination with density functional theory (DFT) calculations. The formation of (MoO3)n chemically bound to C60 is energetically favorable due to ΔG < 0 for n = 1, 2, 4, 6, 8, and 9, and they well reproduced the histogram of the height of (MoO3)n on the C60 (111) terrace obtained by a STM height-profile. STS results demonstrated the upward energy shift of both highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of C60 in the vicinity of (MoO3)n (n = 6 or 9), which is consistent with the previous results of the co-deposited C60/MoO3 film obtained using photoemission and inverse photoemission spectroscopy [Wang and Gao, Appl. Phys. Lett. 105, 111601 (2014), Yang et al., J. Phys.: Condens. Matter 28, 185502 (2016), and Li et al., J. Phys. Chem. C 118, 4869 (2014)]. Theoretical calculations of (MoO3)n (n = 1, 2, 4, 6, 8, and 9) chemically bound to C60 indicated that 0.01–0.32 holes are injected into C60 by (MoO3)n nanoclusters, and UV–vis–NIR and DFT results found that the hole doping to C60 is caused via the electron transfer from the HOMO of C60 to the LUMO of (MoO3)n. Furthermore, it is noted that the C60–(MoO3)n interactions exhibit a high heat resistance up to 250 °C by examining the UV–vis–NIR spectra of a co-deposited C60/MoO3 (6:4) film before and after thermal annealing. The present findings provide useful information for the practical use of P-type C60-based thermoelectric devices.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_9_publisher_32":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"AIP Publishing","subitem_publisher_language":"en"}]},"item_9_relation_43":{"attribute_name":"関連情報","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1063/5.0134207","subitem_relation_type_select":"DOI"}}]},"item_9_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"Copyright 2023 Author(s). Published under an exclusive license by AIP Publishing. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing.The following article appeared in (The Journal of Chemical Physics. 158, 054701 (2023)) and may be found at (https://doi.org/10.1063/5.0134207).","subitem_rights_language":"en"}]},"item_9_source_id_7":{"attribute_name":"収録物識別子","attribute_value_mlt":[{"subitem_source_identifier":"0021-9606","subitem_source_identifier_type":"PISSN"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Nakaya, Masato","creatorNameLang":"en"}]},{"creatorNames":[{"creatorName":"Kawai, Takuya","creatorNameLang":"en"}]},{"creatorNames":[{"creatorName":"Watanabe, Shinta","creatorNameLang":"en"}]},{"creatorNames":[{"creatorName":"Onoe, Jun","creatorNameLang":"en"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2024-02-07"}],"displaytype":"detail","filename":"054701_1_online.pdf","filesize":[{"value":"8 MB"}],"format":"application/pdf","mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://nagoya.repo.nii.ac.jp/record/2006766/files/054701_1_online.pdf"},"version_id":"8935a46a-c787-4c72-9438-c1b390155403"}]},"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":"Micro-/macroscopic and density functional studies of the interactions between molybdenum trioxide and C60 molecule","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Micro-/macroscopic and density functional studies of the interactions between molybdenum trioxide and C60 molecule","subitem_title_language":"en"}]},"item_type_id":"40001","owner":"17","path":["322"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2023-07-25"},"publish_date":"2023-07-25","publish_status":"0","recid":"2006766","relation_version_is_last":true,"title":["Micro-/macroscopic and density functional studies of the interactions between molybdenum trioxide and C60 molecule"],"weko_creator_id":"17","weko_shared_id":-1},"updated":"2024-03-04T02:23:18.982408+00:00"}