{"id":102129,"date":"2017-09-20T06:30:51","date_gmt":"2017-09-19T22:30:51","guid":{"rendered":"\/\/m.iemloyee.com\/?p=102129"},"modified":"2017-09-18T20:08:56","modified_gmt":"2017-09-18T12:08:56","slug":"jacs%ef%bc%9a%e9%ab%98%e6%80%a7%e8%83%bd%e5%8d%95%e5%8e%9f%e5%ad%90%e9%92%bc%e5%82%ac%e5%8c%96%e5%89%82%e7%94%a8%e4%ba%8e%e6%b0%ae%e8%bf%98%e5%8e%9f%e5%90%88%e6%88%90%e6%b0%a8","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=102129","title":{"rendered":"JACS\uff1a\u9ad8\u6027\u80fd\u5355\u539f\u5b50\u94bc\u50ac\u5316\u5242\u7528\u4e8e\u6c2e\u8fd8\u539f\u5408\u6210\u6c28"},"content":{"rendered":"

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

\u4f5c\u4e3a\u63a8\u52a8\u4eba\u7c7b\u793e\u4f1a\u8fdb\u6b65\u6700\u91cd\u8981\u7684\u50ac\u5316\u53cd\u5e94\uff0c \u5408\u6210\u6c28\u662f20\u4e16\u7eaa\u6700\u91cd\u8981\u7684\u53d1\u660e\u4e4b\u4e00\u3002\u6c28\u662f\u6700\u91cd\u8981\u7684\u57fa\u7840\u5316\u5de5\u4ea7\u54c1\u4e4b\u4e00\uff0c\u4ea7\u91cf\u5c45\u5404\u79cd\u5316\u5de5\u4ea7\u54c1\u7684\u9996\u4f4d\u3002\u73b0\u5728\u5168\u7403\u6c28\u4ea7\u91cf\u7ea6\u4e3a5\u4ebf\u5428\uff0c\u5176\u4e2d90%\u7684\u6c28\u7528\u6765\u751f\u4ea7\u5316\u80a5\u3002\u5316\u80a5\u5de5\u4e1a\u7684\u51fa\u73b0\u548c\u53d1\u5c55\u5927\u5e45\u5ea6\u63d0\u9ad8\u4e86\u519c\u4f5c\u7269\u4ea7\u91cf\uff0c\u4ece\u800c\u89e3\u51b3\u4e86\u4eba\u53e3\u5feb\u901f\u589e\u957f\u5e26\u6765\u7684\u7cae\u98df\u95ee\u9898\u3002\u53ef\u4ee5\u8bf4\uff0c\u6ca1\u6709\u5408\u6210\u6c28\uff0c\u5f53\u4eca\u4e16\u754c70\u4ebf\u4eba\u53e3\u7684\u5403\u996d\u5c31\u4f1a\u6210\u4e3a\u5927\u95ee\u9898\u3002<\/p>\n

\u4f46\u662f\uff0c\u4f17\u6240\u5468\u77e5\uff0c\u5b9e\u73b0N2<\/sub>\u7684\u6d3b\u5316\u5341\u5206\u56f0\u96be\uff0c\u5f00\u53d1\u5408\u9002\u7684\u50ac\u5316\u5242\u662f\u5173\u952e\u3002\u8fc4\u4eca\u4e3a\u6b62\uff0c\u4e09\u4f4d\u79d1\u5b66\u5bb6\u7531\u4e8e\u5bf9\u5408\u6210\u6c28\u50ac\u5316\u5242\u7684\u8d21\u732e\u83b7\u5f97\u4e86\u8bfa\u8d1d\u5c14\u5956\u3002 \u4ed6\u4eec\u5206\u522b\u662f\u53d1\u660e\u9ad8\u6e29\u9ad8\u538b\u5408\u6210\u6c28\u8fc7\u7a0b\u7684Fritz Haber \uff081918\u5e74\uff09\uff0c\u5b9e\u73b0\u5408\u6210\u6c28\u5de5\u4e1a\u5316\u7814\u7a76\uff0c\u53d1\u5c55\u51faHaber-Basch\u8fc7\u7a0b\u7684Carl Bosch\uff081931\u5e74\uff09\uff0c\u4ee5\u53ca\u5229\u7528\u8868\u9762\u79d1\u5b66\u624b\u6bb5\u9610\u660e\u5408\u6210\u6c28\u673a\u7406\u7684Gerhard Ertl(2007\u5e74)\u3002<\/p>\n

\u76ee\u524d\u5de5\u4e1a\u4e0a\u5408\u6210\u6c28\u5e7f\u6cdb\u91c7\u7528\u7684\u662f\u54c8\u4f2f-\u535a\u65bd\u6cd5 Haber-Bosch\u00a0process)\uff0c \u4e5f\u5c31\u662f\u6c2e\u6c14<\/a>\u4e0e\u6c22\u6c14<\/a>\u5728\u9ad8\u6e29\u9ad8\u538b\u50ac\u5316\u5242\uff08\u94c1<\/a>\uff09\u4f5c\u7528\u4e0b\u53d1\u751f\u5316\u5408<\/a>\u751f\u6210\u6c28<\/a>\u3002 \u8be5\u5de5\u827a\u53cd\u5e94\u6761\u4ef6\u5341\u5206\u82db\u523b\uff0c\u9700\u8981\u9ad8\u538b\uff08> 700 bar\uff09\u3001\u9ad8\u6e29\uff08> 673 K\uff09\u7684\u6761\u4ef6\uff0c\u5341\u5206\u8017\u80fd\u3002\u5168\u4e16\u754c\u82b1\u5728\u5408\u6210\u6c28\u4e0a\u7684\u80fd\u6e90\u5360\u5168\u4eba\u7c7b\u80fd\u6e90\u6d88\u8017\u76841-2%\u3002\u56e0\u800c\uff0c\u5bfb\u627e\u9ad8\u6027\u80fd\u3001\u4f4e\u6210\u672c\u7684\u975e\u8d35\u91d1\u5c5e\u50ac\u5316\u5242\u5b9e\u73b0\u6e29\u548c\u6761\u4ef6\u4e0b\u5408\u6210\u6c28\u4e00\u76f4\u662f\u50ac\u5316\u9886\u57df\u7684\u91cd\u8981\u7814\u7a76\u8bfe\u9898\u3002<\/p>\n

\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n

\u8fd1\u65e5\uff0c\u54c8\u5c14\u6ee8\u5e08\u8303\u5927\u5b66\u5316\u5b66\u5316\u5de5\u5b66\u9662\u8d75\u666f\u7965\u6559\u6388\u548c\u7f8e\u56fd\u6ce2\u591a\u9ece\u5404\u5927\u5b66\u9648\u4e2d\u65b9\u6559\u6388<\/strong>(<\/strong>\u901a\u8baf\u4f5c\u8005<\/strong>)<\/strong>\u5408\u4f5c\uff0c\u5728<\/strong>JACS<\/strong>\u4e0a\u53d1\u8868\u4e86\u9898\u4e3a<\/strong>\u201cSingle Mo atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study\u201d<\/strong>\u7684\u7814\u7a76\u8bba\u6587<\/strong>[1]<\/strong><\/sup>\u3002<\/strong><\/p>\n

\u8be5\u8bba\u6587\u4ee5\u5b9e\u9a8c\u4e0a\u62a5\u9053\u7684\u7f3a\u9677\u787c\u6c2e\u5355\u5c42\u6750\u6599\uff08\u787c\u7f3a\u9677\uff09\u4e3a\u8f7d\u4f53\uff0c\u5728\u5176\u8868\u9762\u8d1f\u8f7d\u4e8615\u4e2a\u5355\u8fc7\u6e21\u91d1\u5c5e\u539f\u5b50\uff08TM: Sc~Zn, Mo, Ru, Rh, Pd, Ag\uff09\u5f62\u6210TMN3<\/sub>\u5355\u5143\uff0c\u5229\u7528\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u8ba1\u7b97\u4e86\u6c2e\u8fd8\u539f\u53cd\u5e94\u4e2d\u95f4\u4f53\uff08N2<\/sub>,N2<\/sub>H, NH2<\/sub>\uff09\u4e0e\u6240\u6784\u5efa\u6750\u6599\u4e4b\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\u80fd\uff08\u56fe\u4e00\uff09\uff0c\u4ece\u800c\u7b5b\u9009\u51fa\u5177\u6709\u9ad8\u50ac\u5316\u6d3b\u6027\u7684\u6f5c\u5728\u6750\u6599-\u62c5\u8f7d\u5355\u539f\u5b50\u94bc\u7684\u7f3a\u9677\u787c\u6c2e\u5355\u5c42\u6750\u6599\uff08\u56fe\u4e8c\uff09\u3002\u5728\u6b64\u57fa\u7840\u4e0a\uff0c\u4f5c\u8005\u7814\u7a76\u4e86\u8be5\u50ac\u5316\u5242\u7535\u50ac\u5316\u6c2e\u8fd8\u539f\u53cd\u5e94\u7684\u53cd\u5e94\u673a\u7406\uff08\u56fe\u4e09\uff09\u3002\u8ba1\u7b97\u7ed3\u679c\u8868\u660e\uff0c\u7f3a\u9677\u787c\u6c2e\u7eb3\u7c73\u5355\u5c42\u6750\u6599\u62c5\u8f7d\u7684\u5355\u4e2a\u94bc\u539f\u5b50\u503e\u5411\u4e8e\u901a\u8fc7\u9176(enzymatic) \u673a\u7406\u50ac\u5316\u6c2e\u6c14\u8fd8\u539f\uff0c\u6240\u9700\u8fc7\u7535\u4f4d\u4ec5\u4e3a0.19V\uff08\u56fe\u56db\uff09\uff0c\u8fdc\u4f4e\u4e8e\u76ee\u524d\u5df2\u62a5\u9053\u7684\u5176\u5b83\u7535\u50ac\u5316\u5242\u3002\u8d1f\u8f7d\u5728\u7f3a\u9677\u787c\u6c2e\u77f3\u58a8\u70ef\u4e0a\u7684\u5355\u539f\u5b50\u94bc\u5177\u6709\u6781\u5927\u7684\u78c1\u77e9\u3001\u53ef\u4ee5\u6e29\u548c\u7684\u6d3b\u5316\u60f0\u6027\u6c2e\u6c14\uff0c\u9009\u62e9\u6027\u7684\u7a33\u5b9a\u53cd\u5e94\u4e2d\u95f4\u7269\u79cdNH2<\/sub>, \u800c\u4e8e\u4e2d\u95f4\u7269\u79cdNH2<\/sub>*<\/sup> species\u4f5c\u7528\u80fd\u529b\u8f83\u5f31\u3002\u53e6\u5916\uff0c\u6742\u539f\u5b50\u94bc\u7684\u5f15\u5165\u4e5f\u663e\u8457\u964d\u4f4e\u4e86\u787c\u6c2e\u6750\u6599\u7684\u80fd\u5e26\u5bbd\u5ea6\u3002\u8fd9\u4e9b\u56e0\u7d20\u5171\u540c\u4f5c\u7528\u5bfc\u81f4\u4e86\u8be5\u50ac\u5316\u5242\u7684\u9ad8\u6d3b\u6027\u3002\u8be5\u7814\u7a76\u6253\u7834\u4e86\u787c\u6c2e\u6750\u6599\u4e0d\u80fd\u505a\u4e3a\u7535\u50ac\u5316\u5242\u6750\u6599\u7684\u601d\u60f3\uff0c\u4e3a\u60f0\u6027\u6c2e\u6c14\u8fd8\u539f\u5408\u6210\u6c28\u63d0\u4f9b\u4e86\u7b80\u5355\u65b0\u9896\u7684\u601d\u8def\u3002<\/p>\n

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

\u56fe\u4e00<\/strong>\uff1a<\/strong> \u7f3a\u9677\u787c\u6c2e\u5355\u5c42\u6750\u6599\u62c5\u8f7d\u5355\u539f\u5b50\u8fc7\u6e21\u91d1\u5c5e\u8868\u9762<\/strong>(a)N2<\/sub><\/strong>\u5438\u9644<\/strong>\u81ea\u7531\u80fd\u548c<\/strong>(b)N2<\/sub>H<\/strong>\u548c<\/strong>NH2<\/sub><\/strong>\u7684\u5438\u9644\u80fd<\/strong><\/p>\n

\"\"<\/a><\/p>\n

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\"\"<\/a>\u5b8c\u5168\u4f18\u5316\u7684Mo\u5d4c\u5165BN\u7eb3\u7c73\u7247\u7684\u7ed3\u6784\u3002<\/p>\n

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\"\"<\/a><\/p>\n

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\"\"<\/a><\/p>\n

\u5728\u4ea4\u66ff\u673a\u7406\u4e2d\uff0cN2<\/sub>\u56fa\u5b9a\u5728Mo\u5d4c\u5165\u7684BN\u5355\u5c42\u4e0a\u7684\u6f5c\u5728\u9650\u5236\u6b65\u9aa4\uff08\u0394G\uff09\u662f\u5f62\u6210N2H4 *\u7ec4\uff0c\u9176\u673a\u5236\u4e2dNH2<\/sub> *\u8fd8\u539f\u4e3aNH3<\/sub>\u3002<\/p>\n

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

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\u6587\u732e\u94fe\u63a5\uff1a<\/strong>Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study<\/a>\uff08JACS\uff0c2017\uff0cDOI: 10.1021\/jacs.7b05213\uff09<\/p>\n

\u4f5c\u8005\u7b80\u4ecb<\/strong><\/p>\n

\u8d75\u666f\u7965\u5728\u54c8\u5c14\u6ee8\u5e08\u8303\u5927\u5b66\u5316\u5b66\u5316\u5de5\u5b66\u9662\u83b7\u5f97\u7855\u58eb\u5b66\u4f4d\u540e\u7559\u6821\u4efb\u8bb2\u5e08\uff0c2006\u5e749\u6708\u8d74\u5409\u6797\u5927\u5b66\u7406\u8bba\u5316\u5b66\u7814\u7a76\u6240\u653b\u8bfb\u535a\u58eb\u5b66\u4f4d\uff0c\u5e08\u4ece\u4e01\u76ca\u5b8f\u6559\u6388\u30022015\u5e743\u8d74\u7f8e\u56fd\u6ce2\u591a\u9ece\u5404\u5927\u5b66\u5316\u5b66\u7cfb\u4ece\u4e8b\u56fd\u5bb6\u516c\u6d3e\u8bbf\u95ee\u5b66\u8005\u5de5\u4f5c\uff0c\u5408\u4f5c\u5bfc\u5e08\u9648\u4e2d\u65b9\u6559\u6388\uff1b2014\u5e74\u8d77\u5728\u54c8\u5c14\u6ee8\u5e08\u8303\u5927\u5b66\u5316\u5b66\u5316\u5de5\u5b66\u9662\u4efb\u6559\u6388\u3002<\/p>\n

\u8d75\u666f\u7965\u6559\u6388\u8fd1\u5e74\u6765\u4e00\u76f4\u81f4\u529b\u4e8e\u4f4e\u7ef4\u7eb3\u7c73\u6750\u6599\u7535\u50ac\u5316\u6027\u80fd\u3001\u9502\u786b\u7535\u6c60\u6027\u80fd\u7b49\u7684\u7406\u8bba\u7814\u7a76\u5de5\u4f5c\u3002\u76ee\u524d\uff0c\u5df2\u5728J. Am. Chem. Soc, ACS Catal, J. Mater. Chem. A, ACS. Appl. Mater.&Int., J. Power Sources, Carbon, Electrochimia Acta, J. Phys. Chem. C, Phys. Chem. Chem. Phys.\u7b49\u56fd\u9645\u9ad8\u6c34\u5e73\u6587\u7ae0\u4e0a\u53d1\u8868SCI\u8bba\u658760\u4f59\u7bc7\uff1b\u4f5c\u4e3a\u9879\u76ee\u8d1f\u8d23\u4eba\uff0c\u4e3b\u6301\u56fd\u5bb6\u81ea\u7136\u79d1\u5b66\u57fa\u91d11\u9879\u3001\u54c8\u5c14\u6ee8\u5e08\u8303\u5927\u5b66\u9752\u5e74\u9aa8\u5e72\u9879\u76ee1\u9879\uff0c\u83b7\u9ed1\u9f99\u6c5f\u7701\u79d1\u6280\u5385\u4e8c\u7b49\u59561\u9879\u3002\u00a0<\/p>\n

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