{"created":"2023-05-15T14:37:13.312575+00:00","id":47986,"links":{},"metadata":{"_buckets":{"deposit":"0cbb2f90-2a1d-4dcd-ab3e-f0a67175f6a1"},"_deposit":{"created_by":1,"id":"47986","owners":[1],"pid":{"revision_id":0,"type":"depid","value":"47986"},"status":"published"},"_oai":{"id":"oai:repo.qst.go.jp:00047986","sets":["1"]},"author_link":["481701","481700"],"item_8_biblio_info_7":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2016-09","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"12","bibliographicPageStart":"124703","bibliographicVolumeNumber":"145","bibliographic_titles":[{"bibliographic_title":"The Journal of Chemical Physics"}]}]},"item_8_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"We performed first-principles-based simulations of weathered biotites (WBs) including alkali metal ions to investigate the adsorption states of interlayer cations and the cation/water distribution in their interlayer. Our simulations suggest that the inclusion of Fe3+ ions in octahedral sheets of WBs alters significantly the vibrational states, the adsorption states of alkali ions, and the cation/water distribution in our WBs. The Al–O bond cleavage suggested to occur in Fe3+-rich regions of WBs upon the H2O adsorption on Al3+ in tetrahedral sheets enhances greatly the dipole moment of adsorbed H2O molecules, thus enhancing the preference for aggregating inner-sphere complexes of heavy alkali ions particularly Cs+.","subitem_description_type":"Abstract"}]},"item_8_publisher_8":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"AIP Publishing"}]},"item_8_relation_14":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1063/1.4963017","subitem_relation_type_select":"DOI"}}]},"item_8_relation_17":{"attribute_name":"関連サイト","attribute_value_mlt":[{"subitem_relation_name":[{"subitem_relation_name_text":"http://scitation.aip.org/content/aip/journal/jcp/145/12/10.1063/1.4963017"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"http://scitation.aip.org/content/aip/journal/jcp/145/12/10.1063/1.4963017","subitem_relation_type_select":"URI"}}]},"item_8_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0021-9606","subitem_source_identifier_type":"ISSN"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"metadata only access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_14cb"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"池田, 隆司"}],"nameIdentifiers":[{"nameIdentifier":"481700","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"池田 隆司","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"481701","nameIdentifierScheme":"WEKO"}]}]},"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-based simulation of interlayer water and alkali metal ions in weathered biotite","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"First-principles-based simulation of interlayer water and alkali metal ions in weathered biotite"}]},"item_type_id":"8","owner":"1","path":["1"],"pubdate":{"attribute_name":"公開日","attribute_value":"2017-05-23"},"publish_date":"2017-05-23","publish_status":"0","recid":"47986","relation_version_is_last":true,"title":["First-principles-based simulation of interlayer water and alkali metal ions in weathered biotite"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-05-15T23:33:19.626057+00:00"}