{"id":52053,"date":"2024-08-15T08:18:17","date_gmt":"2024-08-15T00:18:17","guid":{"rendered":"https:\/\/www.chemhui.com\/?p=52053"},"modified":"2024-08-06T10:21:26","modified_gmt":"2024-08-06T02:21:26","slug":"angew-chem-%ef%bc%9a%e9%85%8d%e4%bd%93%e8%bd%b4%e5%90%91%e4%bf%ae%e9%a5%b0%e5%8d%95%e5%8e%9f%e5%ad%90%e5%82%ac%e5%8c%96%e5%89%82%e7%9a%84%e9%80%9a%e7%94%a8%e6%8f%8f%e8%bf%b0%e7%ac%a6","status":"publish","type":"post","link":"http:\/\/www.chemhui.com\/angew-chem-%ef%bc%9a%e9%85%8d%e4%bd%93%e8%bd%b4%e5%90%91%e4%bf%ae%e9%a5%b0%e5%8d%95%e5%8e%9f%e5%ad%90%e5%82%ac%e5%8c%96%e5%89%82%e7%9a%84%e9%80%9a%e7%94%a8%e6%8f%8f%e8%bf%b0%e7%ac%a6\/","title":{"rendered":"Angew. Chem. \uff1a\u914d\u4f53\u8f74\u5411\u4fee\u9970\u5355\u539f\u5b50\u50ac\u5316\u5242\u7684\u901a\u7528\u63cf\u8ff0\u7b26"},"content":{"rendered":"
\n
\n
\n
\n
\u5355\u539f\u5b50\u50ac\u5316\u5242\uff08SACs\uff09\u5728\u7535\u50ac\u5316\u9886\u57df\u4e2d\u8868\u73b0\u51fa\u4f18\u5f02\u7684\u50ac\u5316\u6d3b\u6027\uff0c\u56e0\u800c\u53d7\u5230\u5e7f\u6cdb\u5173\u6ce8\u3002\u7528\u914d\u4f53\u8f74\u5411\u4fee\u9970\u6d3b\u6027\u91d1\u5c5e\u4f4d\u70b9\uff08ACL\uff09\u662f\u4f18\u5316SAC\u6d3b\u6027\u7684\u9ad8\u6548\u901a\u7528\u7b56\u7565\u3002\u7136\u800c\uff0c\u76ee\u524dACL\u5bf9SAC\u7684\u5177\u4f53\u8c03\u8282\u673a\u7406\u5c1a\u672a\u660e\u6670\uff0c\u4e9f\u5f85\u6df1\u5165\u7684\u7814\u7a76\u548c\u7406\u89e3\uff0c\u4ee5\u4fbf\u66f4\u597d\u7684\u63a8\u8fdb\u5355\u539f\u5b50\u50ac\u5316\u5242\u5728\u80fd\u6e90\u8f6c\u6362\u548c\u5b58\u50a8\u7b49\u9886\u57df\u7684\u5e94\u7528\u3002\u8fd1\u65e5\uff0c\u5317\u4eac\u5316\u5de5\u5927\u5b66\u7684\u66f9\u8fbe\u9e4f\u6559\u6388\u548c\u9999\u6e2f\u57ce\u5e02\u5927\u5b66\u7684\u66fe\u6653\u6210<\/span>\u8bb2\u5ea7\u6559\u6388\u5408\u4f5c\uff0c\u4ee5\u591a\u79cd\u914d\u4f53\u8f74\u5411\u4fee\u9970\u5355\u539f\u5b50\u50ac\u5316\u5242\uff08ACL-SAC\uff09\u4e3a\u7814\u7a76\u5bf9\u8c61\uff08\u5982\u56fe1\uff09\uff0c\u57fa\u4e8e\u5176\u5c40\u90e8\u6784\u578b\u548c\u672c\u5f81\u53c2\u6570\uff0c\u6784\u5efa\u4e86\u4e00\u4e2a\u901a\u7528\u7684\u7ed3\u6784\u63cf\u8ff0\u7b26\u03c3\uff0c\u7528\u4ee5\u91cf\u5316\u914d\u4f53\u8f74\u5411\u4fee\u9970\u5355\u539f\u5b50\u50ac\u5316\u5242ACL SACs\u7684\u201c\u7ed3\u6784-\u6027\u80fd\u201d\u6784\u6548\u5173\u7cfb\u3002\u5e76\u4ee5\u7ed3\u6784\u63cf\u8ff0\u7b26\u4e3a\u57fa\u7840\uff0c\u63d0\u51fa\u4e86\u4e00\u4e2a\u53ef\u4ee5\u786e\u5b9a\u5b9e\u9a8c\u4e2d\u914d\u4f53\u8f74\u5411\u4fee\u9970\u5355\u539f\u5b50\u50ac\u5316\u5242ACL-SAC\u9650\u901f\u6b65\u9aa4\u7684\u65b0\u65b9\u6cd5\u3002\u6b64\u5916\uff0c\u4e5f\u901a\u8fc7\u7535\u5b50\u7ed3\u6784\u63ed\u793a\u4e86ACL\u53ef\u4ee5\u63d0\u9ad8M-O\u952e\u7684\u8f68\u9053\u80fd\u7ea7\uff0c\u4ece\u800c\u524a\u5f31\u91d1\u5c5e\u5bf9O\u4e2d\u95f4\u7269\u79cd\u7684\u5438\u9644\u80fd\u529b\u3002<\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n
\n
<\/section>\n<\/section>\n
\"1\"<\/section>\n
\n
\n
\n
\n
\u8003\u8651\u5230ACL\u4f1a\u5bfc\u81f4\u6750\u6599\u5728\u53cd\u5e94\u8fc7\u7a0b\u4e2d\u4ea7\u751f\u8f83\u5927\u7684\u7ed3\u6784\u5e94\u53d8\uff0c\u56e0\u6b64\uff0c\u5bf9\u4e8e\u914d\u4f53\u8f74\u5411\u4fee\u9970\u5355\u539f\u5b50\u50ac\u5316\u5242ACL-SACs\u4f53\u7cfb\uff0c\u7406\u8bba\u56e2\u961f\u63d0\u51fa\u4e86\u4f7f\u7528Frozen slab method\uff08FSM\uff09\u6765\u8ba1\u7b97\u6c27\u4e2d\u95f4\u4f53\u5438\u9644\u80fd\uff0cFSM\u65b9\u6cd5\u80fd\u6709\u6548\u5730\u51cf\u4f4e\u53cd\u5e94\u8fdb\u7a0b\u4e2d\u6750\u6599\u5f62\u53d8\u5bf9\u5438\u9644\u80fd\u7684\u5f71\u54cd\uff0c\u56e0\u6b64\u80fd\u66f4\u51c6\u786e\u5730\u63cf\u8ff0\u914d\u4f53\u8f74\u5411\u4fee\u9970\u5355\u539f\u5b50\u50ac\u5316\u5242ACL-SACs\u7684\u50ac\u5316\u6d3b\u6027\u3002<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n
\n
<\/section>\n<\/section>\n
\"2\"<\/section>\n
\n
\n
\n
\n
\u57fa\u4e8eFSM\u65b9\u6cd5\uff0c\u7406\u8bba\u56e2\u961f\u8ba1\u7b97\u4e863d \u8fc7\u6e21\u91d1\u5c5eACL-SACs\u7684\u6d3b\u6027\uff0c\u5e76\u4ee5\u6b64\u4e3a\u57fa\u7840\u6570\u636e\u96c6\uff0c\u4ee54d\u548c5d\u8fc7\u6e21\u91d1\u5c5eACL-SACs\u4e3a\u9a8c\u8bc1\u6570\u636e\u96c6\uff0c\u6784\u5efa\u51fa\u7ed3\u6784\u63cf\u8ff0\u7b26\u03c3\uff08\u5982\u56fe2\uff09\u3002\u03c3\u4ec5\u5305\u542b\u7535\u8d1f\u6027\uff08EM<\/sub>\u3001EL<\/sub>\uff09\u3001\u4ef7\u7535\u5b50\u6570<\/span>\uff08\u03b8v<\/sub>\uff09\u548cHund\u4fee\u6b63\u56e0\u5b50\uff08aHund<\/sub>\uff09\u4e09\u4e2a\u539f\u5b50\u672c\u5f81\u7ed3\u6784\u53c2\u6570\uff0c\u56e0\u6b64\u53ef\u4ee5\u5b9e\u73b0\u4ece\u6750\u6599\u672c\u5f81\u7ed3\u6784\u5230\u50ac\u5316\u6d3b\u6027\u7684\u5feb\u901f\u9884\u6d4b\u3002\u63cf\u8ff0\u7b26\u03c3\u53ef\u4ee5\u5206\u79bb\u4e3a\u8f74\u5411\u914d\u4f53\u63cf\u8ff0\u7b26\u03c3ACL<\/sub>\u548c\u5355\u539f\u5b50\u63cf\u8ff0\u7b26\u03c3SAC<\/sub>\uff0c\u4fbf\u4e8e\u7814\u7a76\u8005\u7406\u89e3\u8f74\u5411\u914d\u4f53ACL\u5bf9\u4e8e\u5355\u539f\u5b50\u50ac\u5316\u6d3b\u6027\u7684\u8d21\u732e\u3002\u6b64\u5916\uff0c\u5bf9\u4e8e\u4e0d\u540c\u65b9\u6cd5\uff08FSM\u65b9\u6cd5\u3001\u9690\u5f0f\u6eb6\u5242\u5316\u6a21\u578b\u548c\u5bc6\u5ea6\u6cdb\u51fdDFT+U\u7b49\uff09\u8ba1\u7b97\u7684\u5438\u9644\u80fd\u6570\u636e\uff0c\u7406\u8bba\u56e2\u961f\u53d1\u73b0\u4ec5\u4ec5\u901a\u8fc7\u8c03\u8282\u03c3\u4e2d\u7684\u7cfb\u6570a\u548cb \uff08\u89c1\u4e0b\u9762\u7684\u516c\u5f0f\uff09\uff0c\u5373\u53ef\u5b9e\u73b0\u7ed3\u6784\u5230\u6027\u80fd\u7684\u5feb\u901f\u9884\u6d4b\uff0c\u5145\u5206\u8868\u660e\u4e86\u03c3\u662f\u4e00\u79cd\u666e\u9002\u6027\u7684\u7ed3\u6784\u63cf\u8ff0\u7b26\u3002<\/section>\n
\"3\"<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n
\n
<\/section>\n<\/section>\n
\"7\"\u200b<\/section>\n
\n
\n
\n
\n
\u901a\u8fc7\u7ed3\u6784\u63cf\u8ff0\u7b26\u03c3ACL<\/sub>\u548c\u03c3SAC<\/sub>\uff0c\u7406\u8bba\u56e2\u961f\u7ed9\u51fa\u4e86\u4e00\u4e2a\u7b80\u5355\u7684\u4fee\u9970\u7b56\u7565\uff08\u5982\u4e0a\u9762\u56fe3\uff09\uff1a1. \u00a0\u00a0\u00a0\u00a0 \u7531\u4e8eACL\u4f1a\u524a\u5f31\u6d3b\u6027\u4e2d\u5fc3\u91d1\u5c5e\u7684\u5438\u9644\u80fd\u529b\uff0c\u6240\u4ee5\u63a8\u8350\u9009\u53d6\u5438\u9644\u80fd\u529b\u8f83\u5f3a\u7684\u91d1\u5c5e\u4f5c\u4e3a\u6d3b\u6027\u4e2d\u5fc3\u3002<\/p>\n

2.\u00a0\u00a0\u00a0\u00a0\u00a0 \u4e3a\u63d0\u9ad8SACs\u7684\u6d3b\u6027\uff0c\u5728\u7535\u50ac\u5316\u6c27\u8fd8\u539f\u53cd\u5e94ORR\u8fc7\u7a0b\u4e2dACL\u9700\u8981\u6ee1\u8db3\u03c3ACL<\/sub>\u00a0< 2 \u00d7 (\u20131.2 \u2013 \u03c3SAC<\/sub>)\uff1b\u5728\u7535\u50ac\u5316\u6790\u6c27\u53cd\u5e94OER\u8fc7\u7a0b\u4e2dACL\u9700\u8981\u6ee1\u8db3\u03c3ACL<\/sub>\u00a0< 2 \u00d7 (0.2 \u2013 \u03c3SAC<\/sub>)<\/p>\n

\u56e0\u6b64\u9884\u6d4b\u51faCrN4<\/sub>-, FeN4<\/sub>-, CoN4<\/sub>-, RuN4<\/sub>-, RhN4<\/sub>-, OsN4<\/sub>-, IrN4<\/sub>– and PtN4<\/sub>-ACLs\u7b49\u914d\u4f53\u4f53\u7cfb\u53ef\u80fd\u5177\u6709\u8f83\u9ad8\u7684ORR\/OER\u50ac\u5316\u6d3b\u6027\u3002\u6b64\u5916\uff0c\u7531\u4e8eACL\u914d\u4f53\u63cf\u8ff0\u7b26\u03c3ACL<\/sub>\u53ef\u5355\u72ec\u63cf\u8ff0ACL\u5bf9\u5355\u539f\u5b50\u4e2d\u5fc3\u7535\u50ac\u5316\u6d3b\u6027\u7684\u8d21\u732e\uff0c\u56e0\u6b64\u63d0\u51fa\u4e86\u4e00\u4e2a\u5224\u5b9a\u5b9e\u9a8c\u4e2d\u914d\u4f53\u8f74\u5411\u4fee\u9970\u5355\u539f\u5b50\u50ac\u5316\u5242ACL-SAC\u9650\u901f\u6b65\u9aa4\uff08RLS<\/span>\uff09\u7684\u65b0\u65b9\u6cd5\uff1a\u5f53\u65f6\uff0c\u9650\u901f\u6b65\u9aa4RLS\u4e3aO2<\/sub>\u00a0\u2192 OOH*\uff1b\u5f53\u65f6\uff0c\u9650\u901f\u6b65\u9aa4RLS\u4e3aOH* \u2192 H2<\/sub>O\u3002\u8be5\u65b9\u6cd5\u53ef\u4ee5\u5e2e\u52a9\u5b9e\u9a8c\u8005\u7406\u89e3\u914d\u4f53\u8f74\u5411\u4fee\u9970\u5355\u539f\u5b50\u50ac\u5316\u5242\u7684\u50ac\u5316\u673a\u5236\uff0c\u4ece\u800c\u627e\u5230\u5408\u9002\u7684\u914d\u4f53\u6539\u6027\u7b56\u7565\u3002<\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n

\n
<\/section>\n<\/section>\n
\n
\n
\n
\u8bba<\/strong>\u6587\u4fe1\u606f<\/strong><\/section>\n<\/section>\n
\n
<\/section>\n<\/section>\n
\n
\n
\n
\n
<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n
A general descriptor for single-atom catalysts decorated with axial ligandZelong Qiao,\u00a0Run Jiang,\u00a0Haoxiang Xu,\u00a0Dapeng Cao,\u00a0Xiao Cheng Zeng<\/p>\n

\u6587\u7ae0\u7684\u7b2c\u4e00\u4f5c\u8005\u662f\u5317\u4eac\u5316\u5de5\u5927\u5b66\u7684\u535a\u58eb\u7814\u7a76\u751f\u4e54\u6cfd\u9f99\u3002<\/p>\n

Angewandte Chemie International Edition<\/em><\/p>\n

DOI:\u00a010.1002\/anie.202407812<\/p>\n<\/section>\n<\/section>\n<\/section>\n","protected":false},"excerpt":{"rendered":"

\u5355\u539f\u5b50\u50ac\u5316\u5242\uff08SACs\uff09\u5728\u7535\u50ac\u5316\u9886\u57df\u4e2d\u8868\u73b0\u51fa\u4f18\u5f02\u7684\u50ac\u5316\u6d3b\u6027\uff0c\u56e0\u800c\u53d7\u5230\u5e7f\u6cdb\u5173\u6ce8\u3002\u7528\u914d\u4f53\u8f74\u5411\u4fee\u9970\u6d3b\u6027\u91d1\u5c5e\u4f4d\u70b9\uff08AC […]<\/p>\n","protected":false},"author":326,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[14],"tags":[],"class_list":["post-52053","post","type-post","status-publish","format-standard","hentry","category-tuijianyuedu"],"_links":{"self":[{"href":"http:\/\/www.chemhui.com\/wp-json\/wp\/v2\/posts\/52053","targetHints":{"allow":["GET"]}}],"collection":[{"href":"http:\/\/www.chemhui.com\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.chemhui.com\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.chemhui.com\/wp-json\/wp\/v2\/users\/326"}],"replies":[{"embeddable":true,"href":"http:\/\/www.chemhui.com\/wp-json\/wp\/v2\/comments?post=52053"}],"version-history":[{"count":2,"href":"http:\/\/www.chemhui.com\/wp-json\/wp\/v2\/posts\/52053\/revisions"}],"predecessor-version":[{"id":52055,"href":"http:\/\/www.chemhui.com\/wp-json\/wp\/v2\/posts\/52053\/revisions\/52055"}],"wp:attachment":[{"href":"http:\/\/www.chemhui.com\/wp-json\/wp\/v2\/media?parent=52053"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.chemhui.com\/wp-json\/wp\/v2\/categories?post=52053"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.chemhui.com\/wp-json\/wp\/v2\/tags?post=52053"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}