{"id":112,"date":"2022-01-21T05:02:15","date_gmt":"2022-01-21T05:02:15","guid":{"rendered":"https:\/\/matlantis.com\/?post_type=calculation&p=112"},"modified":"2025-11-25T21:33:04","modified_gmt":"2025-11-25T12:33:04","slug":"calculation-of-the-activation-barrier-for-co-dissociation-on-cobalt-fischer-tropsch-catalysts","status":"publish","type":"calculation","link":"https:\/\/matlantis.com\/ja\/calculation\/calculation-of-the-activation-barrier-for-co-dissociation-on-cobalt-fischer-tropsch-catalysts\/","title":{"rendered":"\u30b3\u30cf\u3099\u30eb\u30c8\u89e6\u5a92\u306b\u304a\u3051\u308bCO\u89e3\u96e2\u53cd\u5fdc\u306e\u6d3b\u6027\u5316\u30a8\u30cd\u30eb\u30ad\u3099\u30fc"},"content":{"rendered":"
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\u518d\u30a8\u30cd\u5408\u6210\u71c3\u6599<\/h2>\n\t\t

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\"image\"<\/figure>\n\t<\/div>\n<\/div>\n\n
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FT\u53cd\u5fdc\u306f\u975e\u5e38\u306b\u591a\u304f\u306e\u7d20\u53cd\u5fdc\u304b\u3089\u306a\u308b\u8907\u96d1\u306a\u53cd\u5fdc\u3067\u3059\u304c\u3001\u305d\u306e\u4e2d\u3067\u3082CO\u89e3\u96e2\u53cd\u5fdc\u306f\u5f8b\u901f\u3068\u306a\u308b\u53cd\u5fdc\u306e\u3072\u3068\u3064\u3068\u8003\u3048\u3089\u308c\u3066\u3044\u307e\u3059[1][2]\u3002\u4eca\u56de\u30b3\u30d0\u30eb\u30c8\u89e6\u5a92\u306b\u304a\u3051\u308bCO\u89e3\u96e2\u6d3b\u6027\u5316\u30a8\u30cd\u30eb\u30ae\u30fc\u3092Matlantis\u3092\u7528\u3044\u3066\u8a08\u7b97\u3057\u3066\u307f\u307e\u3059\u3002<\/p>\n

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NEB\u8a08\u7b97\u306b\u3088\u308a\u5148\u884c\u6587\u732e[2]\u3068\u540c\u7b49\u306a\u7cbe\u5ea6\u3067CO\u89e3\u96e2\u6d3b\u6027\u5316\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u8a08\u7b97\u3059\u308b\u3053\u3068\u304c\u3067\u304d\u307e\u3057\u305f\u3002\u3053\u306e\u3088\u3046\u306bMatlantis\u3092\u7528\u3044\u308b\u3053\u3068\u3067\u3001\u5f93\u6765\u306f\u8a08\u7b97\u30b3\u30b9\u30c8\u306e\u9ad8\u304b\u3063\u305f\u6d3b\u6027\u5316\u30a8\u30cd\u30eb\u30ae\u30fc\u8a08\u7b97\u3092\u975e\u5e38\u306b\u9ad8\u901f\u306b\u884c\u3046\u3053\u3068\u304c\u3067\u304d\u307e\u3059\u3002<\/p>\n

\u591a\u304f\u306e\u5143\u7d20\u3092\u5b66\u7fd2\u3057\u305fMatlantis\u3067\u306f\u73fe\u5b9f\u7684\u306a\u6642\u9593\u3067\u3001\u6570\u5343\u56de\u4ee5\u4e0a\u306e\u6d3b\u6027\u5316\u30a8\u30cd\u30eb\u30ae\u30fc\u8a08\u7b97\u3092\u3067\u304d\u308b\u306e\u3067\u3001\u6027\u80fd\u306e\u9ad8\u3044\u89e6\u5a92\u306e\u63d0\u6848\u3082\u53ef\u80fd\u3068\u306a\u308a\u307e\u3059\u3002<\/p>\n

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\u3053\u306e\u3053\u3068\u304b\u3089\u3001Matlantis\u306f\u5358\u4e00\u7d44\u6210\u3067\u306e\u5438\u7740\u3084\u7269\u6027\u3001\u73fe\u8c61\u306e\u89e3\u660e\u3060\u3051\u3067\u306f\u306a\u304f\u3001\u6c4e\u5316\u6027\u30fb\u9ad8\u901f\u6027\u306a\u7279\u6027\u3092\u751f\u304b\u3057\u3001\u8907\u6570\u306e\u5143\u7d20\u3084\u69cb\u9020\u3092\u8003\u616e\u3057\u305f\u6750\u6599\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u307e\u3067\u884c\u3046\u3053\u3068\u304c\u3067\u304d\u307e\u3059\u3002<\/p>\n\t<\/div>\n<\/div>\n\n

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\u8a08\u7b97\u6761\u4ef6<\/h2>\n\t\t

<\/p>\n\t<\/div>\n\t

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\"image\"<\/figure>\n\t<\/div>\n<\/div>\n\n\n

\u53c2\u8003\u6587\u732e<\/h2>\n\n\n[1] Bart Zijlstra et. at., ACS Catal., 10, 9376-9400, \uff082020\uff09<\/small>\n\nhttps:\/\/pubs.acs.org\/doi\/full\/10.1021\/acscatal.0c02420<\/a><\/small>\n\n[2] Bart Zijlstra et. at., ACS Catal., 9, 7365-7372, \uff082019\uff09<\/small>\n\nhttps:\/\/pubs.acs.org\/doi\/full\/10.1021\/acscatal.9b01967<\/a><\/small>\n\n[3] https:\/\/www.materialsproject.org\/materials\/mp-54\/<\/a><\/small>\n\n[4] https:\/\/wiki.fysik.dtu.dk\/ase\/ase\/neb.html<\/a><\/small>\n\n[5] T. Wang et. al., Catal. Lett., 107, 47 \uff082006\uff09<\/small>\n\nhttps:\/\/link.springer.com\/article\/10.1007\/s10562-005-9730-1<\/a><\/small>\n\n[6] K. Shimura et.al, Appl. Catal. A, 494, 1 \uff082015\uff09<\/small>\n\n<\/small>\n\nhttps:\/\/www.sciencedirect.com\/science\/article\/abs\/pii\/S0926860X15000320<\/a><\/small>","protected":false},"featured_media":105,"template":"","meta":{"_acf_changed":false},"calculation_category":[11],"class_list":["post-112","calculation","type-calculation","status-publish","has-post-thumbnail","hentry","calculation_category-catalysts"],"acf":[],"_links":{"self":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation\/112","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation"}],"about":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/types\/calculation"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/media\/105"}],"wp:attachment":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/media?parent=112"}],"wp:term":[{"taxonomy":"calculation_category","embeddable":true,"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation_category?post=112"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}