{"created":"2023-07-27T04:46:33.479447+00:00","id":47095,"links":{},"metadata":{"_buckets":{"deposit":"30f30dd1-5479-42cf-b319-940f7d2a367a"},"_deposit":{"created_by":3,"id":"47095","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"47095"},"status":"published"},"_oai":{"id":"oai:tohoku.repo.nii.ac.jp:00047095","sets":["76:267"]},"author_link":["110904","110907","110905","110906"],"item_4_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"1996-03-22","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"2","bibliographicPageEnd":"186","bibliographicPageStart":"183","bibliographicVolumeNumber":"41","bibliographic_titles":[{"bibliographic_title":"Science reports of the Research Institutes, Tohoku University. Ser. A, Physics, chemistry and metallurgy"}]}]},"item_4_date_62":{"attribute_name":"登録日","attribute_value_mlt":[{"subitem_date_issued_datetime":"2008-05-02","subitem_date_issued_type":"Created"}]},"item_4_date_63":{"attribute_name":"公開日（投稿完了日）","attribute_value_mlt":[{"subitem_date_issued_datetime":"2008-05-02","subitem_date_issued_type":"Created"}]},"item_4_date_65":{"attribute_name":"発行日","attribute_value_mlt":[{"subitem_date_issued_datetime":"1996-03-22","subitem_date_issued_type":"Created"}]},"item_4_date_80":{"attribute_name":"更新日","attribute_value_mlt":[{"subitem_date_issued_datetime":"2010-01-27","subitem_date_issued_type":"Created"}]},"item_4_description_15":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"application/pdf","subitem_description_type":"Other"}]},"item_4_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Complexes composed of fullerenes and metal elements offer important examples as new nanomaterials in the field of materials design. In the collisions between C^-_<60> and Li^+ in plasma state, there is a possibility that the endohederal fullerene, Li@C_<60> is created as well as Li@C_<58> and so on. To study this phenomenon theoretically, we perform an all-electron mixed basis ab initio molecular dynamics simulation at 1, 000K which was developed by ourselves. When Li^+ with the kinetic energy ～5eV hits the center of a six-membered ring of C^-_<60>, an endohedral complex, Li@C_<60> is created. This direcet insertion process is possible because the ionic radius of Li^+ is shorter then the radius of a six-membered ring. However, if either the kinetic energy is lower or the collision occurs off-center, the Li^+ ion stays outside and C_<60> is deformed by the shock.","subitem_description_type":"Abstract"}]},"item_4_description_41":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"subitem_description":"紀要類(bulletin)","subitem_description_type":"Other"}]},"item_4_description_66":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"844053 bytes","subitem_description_type":"Other"}]},"item_4_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.50974/00043658","subitem_identifier_reg_type":"JaLC"}]},"item_4_publisher_34":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Tohoku University"}]},"item_4_radio_69":{"attribute_name":"公開範囲","attribute_value_mlt":[{"subitem_radio_item":"学外"}]},"item_4_source_id_7":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"00408808","subitem_source_identifier_type":"ISSN"}]},"item_4_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA00836167","subitem_source_identifier_type":"NCID"}]},"item_4_version_type_16":{"attribute_name":"著者版フラグ","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":"Maruyama, Yutaka"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Ohno, Kaoru"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Esfarjani, Keivan"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Kawazoe, Yoshiyuki"}],"nameIdentifiers":[{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2017-02-16"}],"displaytype":"detail","filename":"KJ00004200669.pdf","filesize":[{"value":"844.1 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"KJ00004200669.pdf","url":"https://tohoku.repo.nii.ac.jp/record/47095/files/KJ00004200669.pdf"},"version_id":"c1e8b49c-22ea-4387-b79a-5d91655539c7"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"C_<60>","subitem_subject_scheme":"Other"},{"subitem_subject":"Li","subitem_subject_scheme":"Other"},{"subitem_subject":"endohedral fullerene","subitem_subject_scheme":"Other"},{"subitem_subject":"ab-initio molecular dynamics","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":"departmental bulletin paper","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Ab-initio Molecular Dynamics Simulation of Li Insertion in C_<60>","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Ab-initio Molecular Dynamics Simulation of Li Insertion in C_<60>"}]},"item_type_id":"4","owner":"3","path":["267"],"pubdate":{"attribute_name":"公開日","attribute_value":"2008-05-02"},"publish_date":"2008-05-02","publish_status":"0","recid":"47095","relation_version_is_last":true,"title":["Ab-initio Molecular Dynamics Simulation of Li Insertion in C_<60>"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2023-07-27T12:25:41.650839+00:00"}