{"id":198765,"date":"2020-04-20T06:03:31","date_gmt":"2020-04-19T22:03:31","guid":{"rendered":"\/\/m.iemloyee.com\/?p=198765"},"modified":"2020-04-19T22:03:57","modified_gmt":"2020-04-19T14:03:57","slug":"%e6%b9%96%e5%8d%97%e5%a4%a7%e5%ad%a6%e9%83%ad%e5%9d%a4%e7%90%a8%e3%80%81%e8%a2%81%e5%ae%9a%e6%97%ba%e6%95%99%e6%8e%88%e5%9c%a8li-co2%e7%94%b5%e6%b1%a0%e5%8f%8d%e5%ba%94%e6%9c%ba%e7%90%86%e7%a0%94","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=198765","title":{"rendered":"\u6e56\u5357\u5927\u5b66\u90ed\u5764\u7428\u3001\u8881\u5b9a\u65fa\u6559\u6388\u5728Li-CO2\u7535\u6c60\u53cd\u5e94\u673a\u7406\u7814\u7a76\u65b9\u5411\u53d6\u5f97\u65b0\u8fdb\u5c55"},"content":{"rendered":"

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

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

\u5728\u6e56\u5357\u5927\u5b66\u90ed\u5764\u7428\u6559\u6388\u7684\u5e26\u9886\u4e0b\uff0c\u4e0e\u6e56\u5357\u5927\u5b66\u8881\u5b9a\u65fa\u6559\u6388\u3001\u56db\u5ddd\u7701\u65b0\u6750\u6599\u7814\u7a76\u4e2d\u5fc3\u738b\u658c\u3001\u7a0b\u5efa\u4e3d\u7814\u7a76\u5458\u7684\u5408\u4f5c<\/b><\/strong>\uff0c\u5229\u7528\u7b2c\u4e00\u6027\u539f\u7406\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u8ba1\u7b97\uff0c\u9996\u6b21\u7814\u7a76\u4e86\u78b3\u5316\u94bc\uff08Mo2<\/sub>C\uff09\u4f5c\u4e3aLi-CO2<\/sub>\u7535\u6c60\u9634\u6781\u50ac\u5316\u5242\u7684\u53cd\u5e94\u673a\u7406\u3002\u6839\u636e\u524d\u4eba\u7684\u5b9e\u9a8c\u7814\u7a76\uff0c\u8bbe\u8ba1\u4e865\u6761\u4e0d\u540c\u7684\u53cd\u5e94\u8def\u5f84\uff0c\u8ba1\u7b97\u4e0d\u540c\u4e2d\u95f4\u4ea7\u7269\u7684\u5409\u5e03\u65af\u81ea\u7531\u80fd\u53d8\u5316\uff0c\u4ece\u4e2d\u9009\u62e9\u4e86\u5728\u4e09\u4e2a\u78b3\u5316\u94bc\uff08Mo2<\/sub>C\uff09\u6676\u9762\u7684\u6700\u4f18\u53cd\u5e94\u8def\u5f84\u3002\u7cfb\u7edf\u7814\u7a76\u4e86\u8349\u9178\u9502\uff08Li2<\/sub>C2<\/sub>O4<\/sub>\uff09\u548c\u78b3\u9178\u9502\uff08Li2<\/sub>CO3<\/sub>\uff09\u6210\u6838\u8fc7\u7a0b\u4e2d\u4e0d\u540c\u4e2d\u95f4\u4ea7\u7269\u7684\u5409\u5e03\u65af\u81ea\u7531\u80fd\u53d8\u5316\uff0c\u89c1\u56fe\u3002\u7406\u8bba\u7ed3\u679c\u4e5f\u8fdb\u4e00\u6b65\u8868\u660e\u5728\u4e09\u4e2a\u78b3\u5316\u94bc\uff08Mo2<\/sub>C\uff09\u6676\u9762\u8349\u9178\u9502\uff08Li2<\/sub>C2<\/sub>O4<\/sub>\uff09\u5206\u89e3\u5f62\u6210\u78b3\u9178\u9502\uff08Li2<\/sub>CO3<\/sub>\uff09\u7684\u53cd\u5e94\u4e5f\u88ab\u6291\u5236\u4e86\u3002\u56e0\u6b64\uff0c\u8fd9\u4e9b\u7814\u7a76\u4ece\u7406\u8bba\u4e0a\u8bc1\u660e\u4e86Li2<\/sub>C2<\/sub>O4<\/sub>\u53ef\u4ee5\u4f5c\u4e3a\u6700\u7ec8\u653e\u7535\u4ea7\u7269\u88ab\u7a33\u5b9a\u4e0b\u6765\uff0c\u4ece\u800c\u963b\u6b62\u4e86Li2<\/sub>CO3<\/sub>\u7684\u8fdb\u4e00\u6b65\u5f62\u6210\u3002\u5229\u7528Bader\u7535\u8377\u5206\u6790\u7814\u7a76\u4e86\u5438\u9644\u5728\u50ac\u5316\u8868\u9762\u4e0a\u7684Li2<\/sub>C2<\/sub>O4<\/sub>\u7684\u8868\u9762\u7535\u8377\u5206\u5e03\uff0c\u53d1\u73b0\u5728Li2<\/sub>C2<\/sub>O4<\/sub>\u548cMo2<\/sub>C\u8868\u9762\u4e4b\u95f4\u5b58\u5728\u7535\u5b50\u8f6c\u79fb\u3002\u8fd9\u4e9b\u7814\u7a76\u5c06\u4fc3\u8fdb\u5bf9Li-CO2<\/sub>\u7535\u6c60\u4e2d\u7535\u5316\u5b66\u8fc7\u7a0b\u7684\u7406\u89e3\u548c\u8ba4\u8bc6\uff0c\u4e5f\u4e3aLi-CO2<\/sub>\u7535\u6c60\u9634\u6781\u50ac\u5316\u5242\u7684\u8bbe\u8ba1\u548c\u4f18\u5316\u63d0\u4f9b\u76f4\u63a5\u7684\u7406\u8bba\u6307\u5bfc\u3002\u76f8\u5173\u6210\u679c\u53d1\u8868\u5728\u56fd\u9645\u77e5\u540d\u671f\u520a\u300aJ. Am. Chem. Soc.\u300b<\/strong>\u53d1\u8868\u9898\u4e3a”\u00a0Unraveling Reaction Mechanisms of Mo2<\/sub>C as Cathode Catalyst in Li-CO2<\/sub>\u00a0Battery\u00a0“<\/strong>\u7684\u7814\u7a76\u8bba\u6587\u3002\u6e56\u5357\u5927\u5b66\u535a\u58eb\u7814\u7a76\u751f\u6768\u8d85\u4e3a\u8bba\u6587\u7684\u7b2c\u4e00\u4f5c\u8005\uff0c\u6e56\u5357\u5927\u5b66\u90ed\u5764\u7428\u6559\u6388\u4e3a\u7b2c\u4e00\u901a\u8baf\u4f5c\u8005\u3001\u8881\u5b9a\u65fa\u6559\u6388\u4e3a\u5171\u540c\u901a\u8baf\u4f5c\u8005\u3002<\/p>\n

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

\u56fe1<\/b><\/strong>\u00a0<\/b><\/strong>\u8ba1\u7b97\u4e86<\/b><\/strong>3<\/b><\/strong>\u4e2aMo<\/b><\/strong>2<\/b><\/sub><\/strong>C\u8868\u9762\u4e0aLi<\/b><\/strong>2<\/b><\/sub><\/strong>C<\/b><\/strong>2<\/b><\/sub><\/strong>O<\/b><\/strong>4<\/b><\/sub><\/strong>\u548cLi<\/b><\/strong>2<\/b><\/sub><\/strong>CO<\/b><\/strong>3<\/b><\/sub><\/strong>\u5f62\u6838\u5728U = 0<\/b><\/strong>\u00a0V<\/b><\/strong>\u65f6\u7684\u80fd\u91cf\u5206\u5e03<\/b><\/strong>\u56fe<\/b><\/strong>\"\"<\/p>\n

\u56fe2<\/b><\/strong>\u00a0<\/b><\/strong>\u8ba1\u7b97\u4e86Li<\/b><\/strong>2<\/b><\/sub><\/strong>C<\/b><\/strong>2<\/b><\/sub><\/strong>O<\/b><\/strong>4<\/b><\/sub><\/strong>\u548cLi<\/b><\/strong>2<\/b><\/sub><\/strong>CO<\/b><\/strong>3<\/b><\/sub><\/strong>\u00a0\u5728U<\/b><\/strong>0<\/b><\/sub><\/strong>\u00a0(Li<\/b><\/strong>2<\/b><\/sub><\/strong>C<\/b><\/strong>2<\/b><\/sub><\/strong>O<\/b><\/strong>4<\/b><\/sub><\/strong>)= 3.01 V\u548cU<\/b><\/strong>0<\/b><\/sub><\/strong>\u00a0(Li<\/b><\/strong>2<\/b><\/sub><\/strong>CO<\/b><\/strong>3<\/b><\/sub><\/strong>) = 2.87 V\u65f6<\/b><\/strong>3<\/b><\/strong>\u4e2aMo<\/b><\/strong>2<\/b><\/sub><\/strong>C\u8868\u9762\u4e0a\u6210\u6838\u7684\u80fd\u91cf\u5206\u5e03\u56fe<\/b><\/strong>\"\"<\/p>\n

\u56fe3<\/b><\/strong>\u00a0<\/b><\/strong>\u8ba1\u7b97<\/b><\/strong>\u4e86<\/b><\/strong>Li<\/b><\/strong>2<\/b><\/sub><\/strong>C<\/b><\/strong>2<\/b><\/sub><\/strong>O<\/b><\/strong>4<\/b><\/sub><\/strong>\u5728<\/b><\/strong>3<\/b><\/strong>\u4e2aMo<\/b><\/strong>2<\/b><\/sub><\/strong>C\u8868\u9762\u4e0a\u5206\u89e3\u4e3aLi<\/b><\/strong>2<\/b><\/sub><\/strong>CO<\/b><\/strong>3<\/b><\/sub><\/strong>\u7684\u80fd\u91cf\u5206\u5e03\u56fe<\/b><\/strong>\"\"<\/p>\n

\u56fe<\/b><\/strong>4 <\/b><\/strong>\u5438\u9644\u5728<\/b><\/strong>3<\/b><\/strong>\u4e2aMo<\/b><\/strong>2<\/b><\/sub><\/strong>C\u8868\u9762\u4e0a\u7684Li<\/b><\/strong>2<\/b><\/sub><\/strong>C<\/b><\/strong>2<\/b><\/sub><\/strong>O<\/b><\/strong>4<\/b><\/sub><\/strong>\u7684\u7535\u8377\u53d8\u5316<\/b><\/strong>\"\"<\/p>\n

\u56fe<\/b><\/strong>5<\/b><\/strong>\u00a0<\/b><\/strong>\u4ee5Mo<\/b><\/strong>2<\/b><\/sub><\/strong>C\u4e3a\u9634\u6781\u50ac\u5316\u5242\u7684Li-CO<\/b><\/strong>2<\/b><\/sub><\/strong>\u7535\u6c60\u5728\u4e0d\u540c\u7535\u4f4d\u4e0b\u7684\u7535\u5316\u5b66\u81ea\u7531\u80fd\u53d8\u5316<\/b><\/strong>\"\"<\/p>\n

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

\u603b\u4e4b\uff0cDFT\u8ba1\u7b97\u8868\u660e\uff0cMo2<\/sub>C\u4f5c\u4e3aLi-CO2<\/sub>\u7535\u6c60\u7684\u9634\u6781\u50ac\u5316\u5242\u7684\u6700\u7ec8\u653e\u7535\u4ea7\u7269\uff0cLi2<\/sub>C2<\/sub>O4<\/sub>\u5728\u70ed\u529b\u5b66\u4e0a\u662f\u6709\u5229\u7684\uff0c\u5728\u03b2-Mo2<\/sub>C\uff08001\uff09\u548c\uff08001\uff09\u50ac\u5316\u5242\u8868\u9762\u5206\u522b\u5177\u6709\u7528\u4e8eLi2<\/sub>C2<\/sub>O4<\/sub>\u6210\u6838\u7684\u6700\u4f4e\u5409\u5e03\u65af\u81ea\u7531\u80fd\u53d8\u5316\u548c\u7528\u4e8e\u653e\u7535\u548c\u5145\u7535\u8fc7\u7a0b\u7684\u6700\u4f4e\u8fc7\u7535\u4f4d\u3002\u5728Mo2<\/sub>C\u50ac\u5316\u5242\u7684\u5b58\u5728\u4e0b\uff0c\u901a\u8fc7\u589e\u52a0\u88c2\u89e3\u53cd\u5e94\u7684\u81ea\u7531\u80fd\u53d8\u5316\uff0c\u53ef\u4ee5\u660e\u663e\u6291\u5236\u88c2\u89e3\u53cd\u5e94\u4e2dLi2<\/sub>C2<\/sub>O4<\/sub>\u7684\u6b67\u5316\u53cd\u5e94\uff0c\u6700\u7ec8\u7a33\u5b9aLi2<\/sub>C2<\/sub>O4<\/sub>\u7684\u4e2d\u95f4\u4ea7\u7269\u3002\u7814\u7a76\u53d1\u73b0\uff0c\u4e2d\u95f4\u4ea7\u7269\u4e0eMo2<\/sub>C\u50ac\u5316\u5242\u4e4b\u95f4\u7684\u7535\u5b50\u8f6c\u79fb\u5bf9Li-CO2<\/sub>\u7535\u6c60\u653e\u7535\u4ea7\u7269\u7684\u7a33\u5b9a\u6027\u548c\u7535\u5316\u5b66\u673a\u7406\u8d77\u7740\u5173\u952e\u4f5c\u7528\u3002\u672c\u6587\u7684\u7406\u8bba\u7814\u7a76\u5c06\u4e3aLi2<\/sub>C2<\/sub>O4<\/sub>\u548cLi2<\/sub>CO3<\/sub>\u6210\u6838\u63d0\u4f9b\u53ef\u80fd\u7684\u53cd\u5e94\u9014\u5f84\uff0c\u5e76\u6709\u52a9\u4e8e\u9009\u62e9\u548c\u8bc4\u4f30Li-CO2<\/sub>\u7535\u5316\u5b66\u80fd\u91cf\u5668\u4ef6\u7684\u50ac\u5316\u5242\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/b><\/strong>Unraveling Reaction Mechanisms of Mo<\/u>2<\/sub><\/u>C as Cathode Catalyst in Li-CO<\/u>2<\/sub><\/u>\u00a0Battery<\/u><\/a>\uff08J. Am. Chem. Soc.\uff0c\u00a02020\uff0cDOI:10.1021\/jacs.9b12868\uff09<\/p>\n

\u672c\u6587\u7531\u6728\u6587\u97ec<\/b><\/strong>\u7f16\u8f91\u3002<\/p>\n

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