{"id":226714,"date":"2021-08-31T06:30:11","date_gmt":"2021-08-30T22:30:11","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=226714"},"modified":"2021-08-30T18:34:34","modified_gmt":"2021-08-30T10:34:34","slug":"%e4%b8%ad%e5%8d%97%e5%a4%a7%e5%ad%a6%e5%88%98%e9%87%91%e9%be%99cej%ef%bc%9adft%e6%8e%a2%e7%a9%b6%e8%bf%87%e6%b8%a1%e9%87%91%e5%b1%9e%e5%8d%95%e5%8e%9f%e5%ad%90orr-oer%e5%8f%8c%e5%8a%9f%e8%83%bd","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=226714","title":{"rendered":"\u4e2d\u5357\u5927\u5b66\u5218\u91d1\u9f99CEJ\uff1aDFT\u63a2\u7a76\u8fc7\u6e21\u91d1\u5c5e\u5355\u539f\u5b50ORR\/OER\u53cc\u529f\u80fd\u7535\u50ac\u5316\u5242\u7684\u5408\u7406\u8bbe\u8ba1"},"content":{"rendered":"

\u3010\u5f15\u8a00\u3011<\/b><\/strong><\/p>\n

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\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/b><\/strong><\/p>\n

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\"\"<\/p>\n

(a) \u56db\u7535\u5b50ORR\u548cOER\u53cd\u5e94\u8def\u5f84<\/p>\n

(b) M-Nn-C\u5355\u539f\u5b50\u7684ORR\/OER\u6d3b\u6027\u8d8b\u52bf<\/p>\n

(c) M-N3X-C\u5355\u539f\u5b50\u7684ORR\/OER\u6d3b\u6027\u8d8b\u52bf<\/p>\n

\u56fe2<\/b><\/strong>\u00a0<\/b><\/strong>\u7ebf\u6027\u5438\u9644\u548cORR<\/b><\/strong>\/OER<\/b><\/strong>\u53cc\u6d3b\u6027\u706b\u5c71\u56fe<\/b><\/strong><\/p>\n

\"\"<\/b><\/strong><\/p>\n

(a) ORR\u9650\u5236\u7535\u4f4d\u4e0e\u0394G*OH<\/sub>\u7684\u5173\u7cfb<\/p>\n

(b) OER\u9650\u5236\u7535\u4f4d\u4e0e\u0394G*OH<\/sub>\u7684\u5173\u7cfb<\/p>\n

(c) ORR\/OER\u53cc\u6d3b\u6027\u706b\u5c71\u56fe<\/p>\n

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\"\"<\/p>\n

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\u3010\u5c0f\u7ed3<\/b><\/strong>\u3011<\/p>\n

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\u6587\u732e\u94fe\u63a5\uff1a<\/b><\/strong>Central metal and ligand effects on oxygen electrocatalysis over 3d transition metal single-atom catalysts: A theoretical investigation<\/a>\u00a0(Chem. Eng. J., 2021, 132038, https:\/\/doi.org\/10.1016\/j.cej.2021.132038<\/u><\/a>)<\/p>\n

\u3010\u901a\u8baf\u4f5c\u8005<\/b><\/strong>\u4ecb\u7ecd<\/b><\/strong>\u3011<\/p>\n

\u5218\u91d1\u9f99<\/b><\/strong><\/a>\uff0c\u4e2d\u5357\u5927\u5b66\u5316\u5b66\u5316\u5de5\u5b66\u9662\u7279\u8058\u526f\u6559\u6388\uff0c\u4e3b\u8981\u4ece\u4e8b\u5148\u8fdb\u80fd\u6e90\u6750\u6599\u7684\u8bbe\u8ba1\u3001\u5408\u6210\u3001\u7ed3\u6784\u8868\u5f81\u53ca\u5176\u5728\u9502\/\u94a0\u79bb\u5b50\u7535\u6c60\u3001\u8d85\u7ea7\u7535\u5bb9\u5668\u3001\u7535\u50ac\u5316\u7b49\u65b0\u80fd\u6e90\u6280\u672f\u4e2d\u7684\u5e94\u7528\uff0c\u4ee5\u53ca\u57fa\u4e8e\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u7684\u9ad8\u6548\u7535\u50ac\u5316\u6750\u6599\u7684\u7406\u8bba\u8bbe\u8ba1\u7b5b\u9009\u3001\u7535\u5b50\u7ed3\u6784\u5206\u6790\u548c\u673a\u7406\u63a2\u7a76\u3002\u76ee\u524d\u5df2\u5728\u56fd\u5185\u5916\u77e5\u540d\u671f\u520a\u53d1\u8868\u5b66\u672f\u8bba\u658740\u4f59\u7bc7\uff0c\u5176\u4e2d\u4ee5\u7b2c\u4e00\u6216\u901a\u8baf\u4f5c\u8005\u5728Adv. Mater.\u3001Adv. Energy Mater.\u3001Nano Energy\u3001ACS Catal.\u3001Small\u3001J. Mater. Chem. A\u3001Chem. Eng. J.\u7b49\u56fd\u9645\u77e5\u540d\u671f\u520a\u53d1\u8868\u8bba\u658726\u7bc7\uff0c9\u7bc7\u5165\u9009ESI\u9ad8\u88ab\u5f15\u8bba\u6587\u3002\u66fe\u83b7\u4e2d\u56fd\u7559\u5b66\u57fa\u91d1\u59d4\u4f18\u79c0\u81ea\u8d39\u7559\u5b66\u751f\u5956\u3001\u5357\u6fb3\u80fd\u6e90\u6280\u672f\u4e2d\u5fc3\u7814\u7a76\u8d28\u91cf\u540d\u8a89\u5956\u3001\u963f\u5fb7\u83b1\u5fb7\u5927\u5b66\u535a\u58eb\u7814\u7a76\u91d1\u5956\u7b49\u8363\u8a89\u3002\u62c5\u4efbAngew. Chem. Int. Ed.\u3001J. Mater. Chem. A\u3001ACS Appl. Mater. Interfaces\u7b49\u671f\u520a\u5ba1\u7a3f\u4eba\u3002<\/p>\n

\u8bfe\u9898\u7ec4\u540c\u65f6\u62db\u6536\u7535\u5316\u5b66\u50a8\u80fd\u5b9e\u9a8c\u7814\u7a76\u548c\u7406\u8bba\u8ba1\u7b97\u65b9\u5411\u7684\u7855\u58eb\u3001\u535a\u58eb\u3001\u535a\u58eb\u540e\uff0c\u6b22\u8fce\u611f\u5174\u8da3\u7684\u670b\u53cb\u52a0\u5165\uff0c\u8054\u7cfb\u65b9\u5f0f\uff1a<\/b><\/strong>liu<\/b><\/u><\/strong>jinlong@csu.edu.cn<\/b><\/u><\/strong><\/a><\/p>\n

Geoffrey Waterhouse<\/b><\/strong>\uff0c\u73b0\u4efb\u5965\u514b\u5170\u5927\u5b66\u5316\u5b66\u7cfb\u6559\u6388\uff0c\u65b0\u897f\u5170\u56fd\u5bb6\u7ea7\u5148\u8fdb\u6750\u6599\u4e0e\u7eb3\u7c73\u6280\u672f\u5353\u8d8a\u7814\u7a76\u4e2d\u5fc3(MacDiarmid)\u7684\u79d1\u7814\u51b3\u7b56\u9886\u8896(Scientific Executive)\u80fd\u6e90\u9886\u57df\u9886\u8896(Theme Leader )\u548c\u9996\u5e2d\u7814\u7a76\u5458(Principal Investigator) \uff0c\u6fb3\u5927\u5229\u4e9a\u540c\u6b65\u52a0\u901f\u5668\u4f7f\u7528\u5ba1\u6279\u7684\u987e\u95ee\u59d4\u5458\u4f1a\u6210\u5458\u548c\u65b0\u897f\u5170\u4ee3\u8868\u3002\u4e00\u76f4\u81f4\u529b\u4e8e\u5148\u8fdb\u80fd\u6e90\u6750\u6599\u7684\u7814\u7a76\u5de5\u4f5c\uff0c\u5c24\u5176\u5728\u7eb3\u7c73\u6750\u6599\u5408\u6210\u3001\u592a\u9633\u80fd\u91c7\u96c6\u3001\u50ac\u5316\u3001\u5149\u50ac\u5316\u3001\u5149\u5b66\u4f20\u611f\u5668\u53ca\u836f\u7269\u8f93\u9001\u88c5\u7f6e\u7684\u5149\u5b50\u6676\u4f53\u6027\u80fd\u7b49\u65b9\u9762\u8fdb\u884c\u4e86\u6df1\u5165\u5730\u7814\u7a76\u3002\u4ed6\u66fe\u83b72019\u4e16\u754c\u8de8\u9886\u57df\u9ad8\u88ab\u5f15\u79d1\u5b66\u5bb6(Top 1%, in Materials Science, Chemistry and Physics)\uff0c\u51fa\u7248\u56fd\u9645\u4e13\u845711\u7bc7\uff0c\u56fd\u5916\u4e13\u5229\u7533\u8bf7\/\u6388\u67439\u9879\uff0c\u540c\u884c\u8bc4\u5ba1SCI\u671f\u520a\u8bba\u6587\u8fbe300\u4f59\u7bc7\u3002<\/p>\n

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