{"created":"2025-02-21T03:43:53.965456+00:00","id":2007178,"links":{},"metadata":{"_buckets":{"deposit":"5dfb0ecd-221b-49e0-b94a-c850f7bae63f"},"_deposit":{"created_by":41,"id":"2007178","owners":[41],"pid":{"revision_id":0,"type":"depid","value":"2007178"},"status":"published"},"_oai":{"id":"oai:hiroshima.repo.nii.ac.jp:02007178","sets":["1730444907710"]},"author_link":[],"item_1617186331708":{"attribute_name":"Title","attribute_value_mlt":[{"subitem_title":"First-principles study on lithium and magnesium nitrogen hydrides for hydrogen storage","subitem_title_language":"en"}]},"item_1617186419668":{"attribute_name":"Creator","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Tsumuraya, T.","creatorNameLang":"en"}],"familyNames":[{"familyName":"Tsumuraya","familyNameLang":"en"}],"givenNames":[{"givenName":"T.","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Shishidou, Tatsuya","creatorNameLang":"en"}],"familyNames":[{"familyName":"Shishidou","familyNameLang":"en"}],"givenNames":[{"givenName":"Tatsuya","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Oguchi, Tamio","creatorNameLang":"en"}],"familyNames":[{"familyName":"Oguchi","familyNameLang":"en"}],"givenNames":[{"givenName":"Tamio","givenNameLang":"en"}]}]},"item_1617186476635":{"attribute_name":"Access Rights","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_1617186499011":{"attribute_name":"Rights","attribute_value_mlt":[{"subitem_rights":"Copyright(c) 2007 Elsevier B.V."}]},"item_1617186609386":{"attribute_name":"Subject","attribute_value_mlt":[{"subitem_subject":"energy storage materials","subitem_subject_scheme":"Other"},{"subitem_subject":"solid state reactions","subitem_subject_scheme":"Other"},{"subitem_subject":"enthalpy","subitem_subject_scheme":"Other"},{"subitem_subject":"crystal structure","subitem_subject_scheme":"Other"},{"subitem_subject":"first-principles calculation","subitem_subject_scheme":"Other"},{"subitem_subject":"420","subitem_subject_scheme":"NDC"}]},"item_1617186626617":{"attribute_name":"Description","attribute_value_mlt":[{"subitem_description":"We have investigated the fundamental properties such as structural stability, heat of formation and electronic structure of lithium and magnesium nitrogen hydrides, LiNH2, Mg(NH2)(2) and Li2NH, by means of the first-principles calculations using highly precise all-electron full-potential linear augmented plane wave method. The heats of formation involved in the reactions Li2NH + H-2 <-> LiNH2 + LiH are estimated as -63 kJ/mol H-2 within generalized gradient approximation and -71 kJ/mol H-2 within local density approximation. Furthermore, we also obtain heats of formation concerning two elementary reactions given by an ammonia mediated model for H-2 desorption mechanism.","subitem_description_language":"en"}]},"item_1617186643794":{"attribute_name":"Publisher","attribute_value_mlt":[{"subitem_publisher":"Elsevier B.V."}]},"item_1617186702042":{"attribute_name":"Language","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_1617186920753":{"attribute_name":"Source Identifier","attribute_value_mlt":[{"subitem_source_identifier":"0925-8388","subitem_source_identifier_type":"ISSN"},{"subitem_source_identifier":"AA10817249","subitem_source_identifier_type":"NCID"}]},"item_1617187024783":{"attribute_name":"Page Start","attribute_value_mlt":[{"subitem_start_page":"323"}]},"item_1617187056579":{"attribute_name":"Bibliographic Information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2007-10","bibliographicIssueDateType":"Issued"},"bibliographicPageEnd":"327","bibliographicPageStart":"323","bibliographicVolumeNumber":"446","bibliographic_titles":[{"bibliographic_title":"Journal of Alloys and Compounds"},{"bibliographic_title":"Journal of Alloys and Compounds"}]}]},"item_1617258105262":{"attribute_name":"Resource Type","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_1617265215918":{"attribute_name":"Version Type","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_b1a7d7d4d402bcce","subitem_version_type":"AO"}]},"item_1617353299429":{"attribute_name":"Relation","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1016/j.jallcom.2007.02.159","subitem_relation_type_select":"DOI"}},{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"http://dx.doi.org/10.1016/j.jallcom.2007.02.159","subitem_relation_type_select":"DOI"}}]},"item_1617605131499":{"attribute_name":"File","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_access","date":[{"dateType":"Available","dateValue":"2023-03-18"}],"displaytype":"simple","filename":"JAlCom_446_323.pdf","filesize":[{"value":"415.2 KB"}],"mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://hiroshima.repo.nii.ac.jp/record/2007178/files/JAlCom_446_323.pdf"},"version_id":"635c121c-5d3e-4057-a0e6-412bfb453670"}]},"item_1732771732025":{"attribute_name":"旧ID","attribute_value":"21472"},"item_title":"First-principles study on lithium and magnesium nitrogen hydrides for hydrogen storage","item_type_id":"40003","owner":"41","path":["1730444907710"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2023-03-18"},"publish_date":"2023-03-18","publish_status":"0","recid":"2007178","relation_version_is_last":true,"title":["First-principles study on lithium and magnesium nitrogen hydrides for hydrogen storage"],"weko_creator_id":"41","weko_shared_id":-1},"updated":"2025-02-21T09:24:26.799113+00:00"}