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6. \u6676\u4f53\u8f68\u9053\u54c8\u5bc6\u987f\u5e03\u5c45\uff08COHP\uff09\u4e0e\u76f8\u53d8\u80fd\u5206\u6790\uff1aFe\u63ba\u6742\u5f3a\u5316M\u2013O (M = Fe\/Ni) \u952e\u5e76\u5f31\u5316O\u2013H\u952e<\/strong>\uff0c\u4ece\u800c\u4fc3\u8fdbNiOOH\u53d1\u751f\u03b2 \u2192 \u03b3 \u76f8\u53d8\uff1b\u76f8\u53d8\u80fd\u5219\u4ece\u70ed\u529b\u5b66<\/strong>\u4e0a\u8bc1\u5b9e\u4e86\u8fd9\u4e00\u8d8b\u52bf\u3002\u8fd9\u4e9b\u8ba1\u7b97\u7ed3\u679c\u52a0\u6df1\u4e86\u4eba\u4eec\u5bf9\u5b9e\u9a8c\u89c2\u6d4b\u5230\u7684Fe\u63ba\u6742\u7a33\u5b9a\u03b3\u76f8\u7684\u8ba4\u77e5\u3002<\/p>\n\n\n\n

\n\n\n\n

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\"\"<\/figure>\n\n\n\n

\u56fe1. \u03b2-NiOOH (U\u76f8\u6700\u7a33\u5b9a\uff0cL\u6b21\u4e4b) \u4e0e \u03b3-NiOOH \u7684PDOS\u56fe\uff0c\u57fa\u4e8eHSE06+D3\uff08\u5de6\uff09\u4ee5\u53caPBE+U<\/em>+<\/em>D3\uff08\u53f3\uff09<\/p>\n\n\n\n

\"\"<\/figure>\n\n\n\n


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\"\"<\/figure>\n\n\n\n


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\"\"<\/figure>\n\n\n\n

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\"\"<\/figure>\n\n\n\n

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\n\n\n\n

\u516d\u3001\u3010\u6210\u679c\u542f\u793a\u3011<\/strong><\/strong><\/p>\n\n\n\n

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\u539f\u6587\u8be6\u60c5\uff1a<\/strong>
Da Chen, Daniele Perilli, Richard Dronskowski, Annabella Selloni, Cristiana Di Valentin. Enhanced oxygen evolution on NiOOH through Fe-promoted transformation of \u03b2 to \u03b3 phase<\/em>. Acta Materialia, 2025, 299, 121434.
DOI: 10.1016\/j.actamat.2025.121434<\/u><\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

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