{"created":"2023-06-19T09:14:35.410663+00:00","id":26794,"links":{},"metadata":{"_buckets":{"deposit":"b6aef789-b34d-4593-9c5b-07c8f699bd19"},"_deposit":{"created_by":12,"id":"26794","owners":[12],"pid":{"revision_id":0,"type":"depid","value":"26794"},"status":"published"},"_oai":{"id":"oai:kumadai.repo.nii.ac.jp:00026794","sets":["448:538","585:614:1054"]},"author_link":["155717","155718","155719","155726","155681","155722"],"item_15_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2012","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"1","bibliographicPageEnd":"39","bibliographicPageStart":"33","bibliographicVolumeNumber":"14","bibliographic_titles":[{"bibliographic_title":"Physics Reports of Kumamoto University","bibliographic_titleLang":"en"}]}]},"item_15_description_5":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"The dissociation reactions of ethylene molecules on a Ni cluster are examined by means of ab initio molecular-dynamics simulations. The dissociation reactions of hydrogen atoms are observed at a rate of about 20 ps -1 in our simulations. While more than half of the dissociated hydrogen atoms exist around the Ni cluster, the rest form hydrogen molecules. We also calculate the activation energy for the dissociation reaction of a hydrogen atom to be about 0.52 eV, which corresponds to a rate of only about 0.1 ps -1. To explain the large difference between these reaction rates, we investigate adsorption energies of the ethylene molecule on the Ni cluster. As a result, we clarify that the adsorption energy is more than 1.5 eV, which is three times greater than the activation energy for the hydrogen dissociation. Therefore, the adsorption energy is responsible for the increase of the rate of the dissociation reaction.","subitem_description_language":"en","subitem_description_type":"Other"}]},"item_15_publisher_36":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"熊本大学","subitem_publisher_language":"ja"}]},"item_15_source_id_7":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0303-4070","subitem_source_identifier_type":"PISSN"}]},"item_15_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA00774081","subitem_source_identifier_type":"NCID"}]},"item_15_subject_20":{"attribute_name":"日本十進分類法","attribute_value_mlt":[{"subitem_subject":"431.1","subitem_subject_scheme":"NDC"}]},"item_15_version_type_19":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Shimamura, Kohei","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"155717","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Oguri, Tomoya","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"155718","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Shibuta, Yasushi","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"155719","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Ohmura, Satoshi","creatorNameLang":"en"},{"creatorName":"大村, 訓史","creatorNameLang":"ja"},{"creatorName":"オオムラ, サトシ","creatorNameLang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"155726","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Shimojo, Fuyuki","creatorNameLang":"en"},{"creatorName":"下條, 冬樹","creatorNameLang":"ja"},{"creatorName":"シモジョウ, フユキ","creatorNameLang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"155681","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Yamaguchi, Shu","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"155722","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2020-03-02"}],"displaytype":"detail","filename":"PR0014_033-039.pdf","filesize":[{"value":"1.1 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"PR0014_033-039.pdf","url":"https://kumadai.repo.nii.ac.jp/record/26794/files/PR0014_033-039.pdf"},"version_id":"93771947-2937-400a-8b15-7fbfe80fb67f"}]},"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":"Dissociation mechanism of ethylene molecules with a Ni cluster:ab initio molecular-dynamics study","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Dissociation mechanism of ethylene molecules with a Ni cluster:ab initio molecular-dynamics study","subitem_title_language":"en"}]},"item_type_id":"15","owner":"12","path":["538","1054"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2012-12-20"},"publish_date":"2012-12-20","publish_status":"0","recid":"26794","relation_version_is_last":true,"title":["Dissociation mechanism of ethylene molecules with a Ni cluster:ab initio molecular-dynamics study"],"weko_creator_id":"12","weko_shared_id":-1},"updated":"2023-10-18T04:56:46.577897+00:00"}