{"id":136016,"date":"2018-04-28T06:30:43","date_gmt":"2018-04-27T22:30:43","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=136016"},"modified":"2018-05-15T23:52:43","modified_gmt":"2018-05-15T15:52:43","slug":"nano-lett-%e7%ac%ac%e4%b8%80%e6%80%a7%e5%8e%9f%e7%90%86%e7%b2%be%e7%a1%ae%e8%ae%a1%e7%ae%97%e5%89%a5%e7%a6%bb%e8%83%bd%e9%87%8f","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=136016","title":{"rendered":"Nano Lett.: \u7b2c\u4e00\u6027\u539f\u7406\u7cbe\u786e\u8ba1\u7b97\u5265\u79bb\u80fd\u91cf"},"content":{"rendered":"

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

\u00a0<\/strong>\u5265\u79bb\u80fd\u91cf\u662f\u4ece\u5757\u4f53\u6750\u6599\u8868\u9762\u5265\u79bb\u539f\u5b50\u5c42\u6240\u9700\u7684\u80fd\u91cf\uff0c\u5176\u5bf9\u4e8e\u4e8c\u7ef4\u6750\u6599\u7684\u7814\u7a76\u548c\u5e94\u7528\u5177\u6709\u91cd\u8981\u610f\u4e49\u3002\u57fa\u4e8e\u7b2c\u4e00\u4e2a\u4e8c\u7ef4\u6750\u6599\u77f3\u58a8\u70ef\u7684\u5265\u79bb\uff0c\u4eba\u4eec\u8bd5\u56fe\u5c06\u8d8a\u6765\u8d8a\u591a\u7684\u7531\u4e00\u4e2a\u6216\u51e0\u4e2a\u539f\u5b50\u5c42\u7ec4\u6210\u7684\u4e8c\u7ef4\u6750\u6599\u901a\u8fc7\u673a\u68b0\u5265\u79bb\u5206\u79bb\u5f00\u6765\u3002\u5176\u4e2d\uff0c\u673a\u68b0\u5265\u79bb\u7684\u4e00\u4e2a\u975e\u5e38\u91cd\u8981\u7684\u53ef\u884c\u6027\u6807\u51c6\u662f\u5176\u80fd\u91cf\u635f\u8017\u3002\u8ba1\u7b97\u8fd9\u79cd\u80fd\u91cf\u635f\u8017\u4e0d\u4ec5\u53ef\u4ee5\u89e3\u91ca\u67d0\u4e9b\u6750\u6599\u5bb9\u6613\u8131\u843d\u7684\u539f\u56e0\uff0c\u800c\u4e14\u5728\u5b9e\u9a8c\u4e0a\uff0c\u540c\u65f6\uff0c\u5176\u4f5c\u4e3a\u9884\u6d4b\u53ef\u4ee5\u4ece\u5757\u4f53\u5316\u5408\u7269\u4e2d\u5206\u79bb\u51fa\u6765\u7684\u4e8c\u7ef4\u6750\u6599\u7684\u6307\u5bfc\u5177\u6709\u975e\u5e38\u91cd\u8981\u7684\u610f\u4e49\u3002<\/p>\n

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

\u00a0<\/strong>\u97e9\u56fd\u9996\u5c14\u56fd\u7acb\u5927\u5b66<\/strong>Cheol-Hwan Park<\/strong>\u548c\u6d66\u9879\u5de5\u79d1\u5927\u5b66<\/strong>Jisoon Ihm<\/strong>\u7b49\u4eba<\/strong>\u8bc1\u660e\u4e86\u53ef\u4ee5\u7cbe\u786e\u5730\u83b7\u5f97\u5265\u79bb\u80fd\u91cf\uff0c\u7c7b\u4f3c\u4e8e\u5757\u4f53\u6750\u6599\uff08\u6bcf\u4e2a\u539f\u5b50\u5c42\uff09\u548c\u72ec\u7acb\u5355\u5c42\u4e4b\u95f4\u7684\u57fa\u6001\u80fd\u91cf\u5dee\u5f02\u3002\u4ed6\u4eec\u6240\u63d0\u51fa\u7684\u65b9\u6cd5\u6bd4\u4f20\u7edf\u65b9\u6cd5\u5927\u5927\u964d\u4f4e\u4e86\u8ba1\u7b97\u6210\u672c\uff0c\u56e0\u4e3a\u5b83\u4e0d\u9700\u8981\u5728\u539a\u677f\u4e0a\u8fdb\u884c\u8ba1\u7b97\uff1b\u5176\u6b21\uff0c\u5373\u4f7f\u5b58\u5728\u4efb\u4f55\u7c7b\u578b\u7684\u8868\u9762\u91cd\u7ec4\u8be5\u65b9\u6cd5\u4ecd\u7136\u6709\u6548\uff1b\u53e6\u5916\uff0c\u8be5\u65b9\u6cd5\u80fd\u591f\u8003\u8651\u5230\u5355\u4e2a\u5265\u79bb\u5c42\u7684\u5f1b\u8c6b\uff08\u9762\u5185\u6676\u683c\u53c2\u6570\u548c\u539f\u5b50\u4f4d\u7f6e\uff09\uff0c\u4ee5\u53ca\u5176\u5bb9\u6613\u4e0e\u5404\u79cd\u591a\u4f53\u8ba1\u7b97\u65b9\u6cd5\u76f8\u7ed3\u5408\u3002\u4f5c\u4e3a\u539f\u7406\u7684\u8bc1\u660e\uff0c\u4ed6\u4eec\u4f7f\u7528\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u8ba1\u7b97\u4e86\u77f3\u58a8\u70ef\u3001\u516d\u65b9\u6c2e\u5316\u787c\u3001MoS2<\/sub>\u548c\u78f7\u70ef\u7684\u5265\u79bb\u80fd\u3002\u8be5\u7814\u7a76\u53d1\u8868\u4e8eNano Letters<\/strong>\uff0c\u9898\u4e3a\u201cA Rigorous Method of Calculating Exfoliation Energies from First Principles<\/strong>\u201d<\/strong>\u3002<\/p>\n

\u00a0<\/strong>\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n

\u56fe<\/strong>1. <\/strong>\u4f20\u7edf\u5e73\u677f\u6cd5\u8ba1\u7b97\u5265\u79bb\u80fd\u91cf<\/strong><\/p>\n

\"\"<\/p>\n

\u4ece\u4e24\u79cd\u6784\u578b\u7684\u57fa\u6001\u80fd\u91cf\u7684\u5dee\u5f02\u4e2d\u5f97\u5230\uff0c\u5206\u522b\u4e3a\uff1a\uff08a\uff09\u7531\u8bb8\u591a\u539f\u5b50\u5c42\u7ec4\u6210\u7684\u771f\u7a7a\u5e73\u677f\u548c\uff08b\uff09\u88ab\u5206\u79bb\u5e73\u677f\u7684\u6700\u9876\u5c42\uff08\u89c1\u7bad\u5934\uff09\u4ee5\u53ca\u5355\u5c42\u548c\u5269\u4f59\u5f1b\u8c6b\u677f\u5757\u4e24\u8005\u7684\u539f\u5b50\u4f4d\u7f6e\u3002<\/p>\n

\u56fe<\/strong>2. <\/strong>\u63d0\u51fa\u7684\u8ba1\u7b97\u5265\u79bb\u80fd\u91cf\u65b9\u6cd5\u7684\u793a\u610f\u56fe<\/strong><\/p>\n

\"\"<\/p>\n

\uff08a-d\uff09\u5265\u79bb\u8fc7\u7a0b\u7684\u6b65\u9aa4\u3002\u6c34\u5e73\u865a\u7ebf\u8868\u793a\uff08\u5047\u8bbe\uff09\u5757\u4f53\u8868\u9762\u8fb9\u754c\u3002<\/p>\n

\uff08e\uff09\u5265\u79bb\u80fd\u91cf\u662f\u6784\u578bI\u548cIV\u4e4b\u95f4\u7684\u80fd\u91cf\u5dee\uff0c\u5373\u51cf\u5c11\u5230\u5757\u4f53\u6bcf\u5c42\u7684\u57fa\u6001\u80fd\u91cf\u548c\u771f\u7a7a\u4e2d\u5b8c\u5168\u677e\u5f1b\u539f\u5b50\u5c42\u4e4b\u95f4\u7684\u5dee\u5f02\u3002<\/p>\n

\u56fe<\/strong>3.<\/strong> \u4e24\u79cd\u4e0d\u540c\u8868\u9762\u7684\u77f3\u58a8\u70ef<\/strong>-hBN<\/strong>\u8d85\u6676\u683c\u548c\u5176\u5f62\u6210\u7684\u53cc\u5c42\u5265\u79bb\u8fc7\u7a0b<\/strong><\/p>\n

\"\"<\/p>\n

\uff08a\uff09\u4ece\uff08\u771f\u7a7a\uff09-\u77f3\u58a8\u70ef-hBN-\u77f3\u58a8\u70ef-hBN- …\u7684\u9876\u90e8\u4e24\u5c42\u8868\u9762\u5265\u79bb\u3002 \uff08b\uff09\uff08a\uff09\u4e2d\u6240\u793a\u7684\u53cc\u5c42\u5265\u79bb\u5728\u56fe2\u6240\u793a\u6784\u578bI\u548cIV\u4e4b\u95f4\u7684\u51c0\u5dee\u5f02\u3002 \uff08c,d\uff09\u4e3a\uff08\u771f\u7a7a\uff09-hBN-\u77f3\u58a8\u70ef-hBN-\u77f3\u58a8\u70ef-\u8868\u9762\u4e0e\uff08a\uff09\u548c\uff08b\uff09\u4e2d\u7684\u76f8\u4f3c\u6570\u91cf\u3002<\/p>\n

\u56fe<\/strong>4. <\/strong>\u5e73\u677f\u6cd5\u548c\u6587\u4e2d\u63d0\u51fa\u65b9\u6cd5\u7684\u6bd4\u8f83<\/strong><\/p>\n

\"\"<\/p>\n

\uff08a\uff09\u901a\u8fc7N\u5c42\u677f\u6cd5\u83b7\u5f97\u7684\u5355\u5c42\u5265\u79bb\u80fd\u91cf\u548c\u901a\u8fc7\u6240\u63d0\u51fa\u7684\u65b9\u6cd5\u83b7\u5f97\u7684\u5355\u5c42\u5265\u79bb\u80fd\u91cf\u3002\uff08b\uff09\u7528N\u5c42\u677f\u6cd5\u8ba1\u7b97\u5355\u5c42\u5265\u843d\u80fd\u91cf\u6240\u9700\u7684\u65f6\u95f4\u4e0e\u6587\u4e2d\u63d0\u51fa\u7684\u65b9\u6cd5\u6240\u9700\u7684\u65f6\u95f4\u4e4b\u6bd4\u3002<\/p>\n

\u00a0<\/strong>\u56fe<\/strong>5. <\/strong>\u4f7f\u7528<\/strong>GAP<\/strong>\u8fdb\u884c\u5c40\u90e8\u80fd\u91cf\u5206\u6790<\/strong><\/p>\n

\"\"<\/p>\n

\u77f3\u58a8\u70ef\u3001hBN\u3001MoS2\u548c\u78f7\u70ef\u7684\u6bcf\u4e2a\u533a\u57df\u7684n\u5c42\u5265\u843d\u80fdEexf<\/sub>(n).<\/p>\n

\u56fe<\/strong>6. <\/strong>\u7814\u7a76\u7684\u6750\u6599\u7684\u9762\u5185\u6676\u683c\u53c2\u6570<\/strong><\/p>\n

\"\"<\/p>\n

\uff08a\uff09\u7814\u7a76\u7684\u6750\u6599\u7684\u9762\u5185\u6676\u683c\u53c2\u6570\u3002\uff08b\uff09n\u5c42\u5e73\u677f\u548c\u5757\u72b6\u6676\u4f53\u7684\u9762\u5185\u6676\u683c\u53c2\u6570\uff08s\uff09\u7684\u5dee\u5f02\u3002\uff08c\uff09\u5e73\u9762\u5185\u6676\u683c\u5e38\u6570\u7684\u677e\u5f1b\u5bfc\u81f4\u7684\u5265\u79bb\u5c42\u7a33\u5b9a\u80fd\uff08EIV<\/sub>-EIII<\/sub>\uff09\u3002<\/p>\n

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

\u8be5\u7814\u7a76\u5f00\u53d1\u4e86\u4e00\u79cd\u975e\u5e38\u6709\u6548\u7684\u65b9\u6cd5\uff0c\u5176\u6839\u636e\u7b2c\u4e00\u6027\u539f\u7406\u6765\u8ba1\u7b97\u5265\u79bb\u80fd\u91cf\u3002\u8be5\u65b9\u6cd5\u8fd8\u80fd\u591f\u4e25\u683c\u8003\u8651\u6750\u6599\u7684\u8868\u9762\u5f1b\u8c6b\u548c\u91cd\u6574\uff0c\u7b80\u6613\u5904\u7406\u5265\u79bb\u5c42\u7684\u9762\u5185\u6676\u683c\u5e38\u6570\u7684\u53d8\u5316\uff0c\u5e76\u4e14\u53ef\u4e0e\u6700\u5148\u8fdb\u7684\u591a\u4f53\u6280\u672f\u7ec4\u5408\u3002\u4ed6\u4eec\u5e94\u7528\u8be5\u65b9\u6cd5\u8ba1\u7b97\u4e86\u56db\u79cd\u5177\u6709\u4ee3\u8868\u6027\u7684\u4e8c\u7ef4\u6750\u6599\u7684n\u5c42\u5265\u79bb\u80fd\u91cf\u3002\u867d\u7136\u4ed6\u4eec\u7684\u8bba\u8bc1\u96c6\u4e2d\u5728\u5177\u6709\u8303\u5fb7\u534e\u76f8\u4e92\u4f5c\u7528\u7684\u5206\u5c42\u6750\u6599\u4e0a\uff0c\u4f46\u662f\u8be5\u65b9\u6cd5\u901a\u5e38\u53ef\u4ee5\u5e94\u7528\u4e8e\u5176\u4ed6\u7c7b\u578b\u7684\u5206\u5c42\u6750\u6599\uff0c\u4f8b\u5982\u5177\u6709\u6c22\u952e\u7684\u5206\u5c42\u6750\u6599\u3002\u7814\u7a76\u4eba\u5458\u8ba4\u4e3a\uff0c\u7531\u4e8e\u8be5\u65b9\u6cd5\u7684\u72ec\u7279\u4f18\u70b9\uff0c\u5b83\u5c06\u53d6\u4ee3\u4f20\u7edf\u7684\u65b9\u6cd5\u5e76\u88ab\u5e7f\u6cdb\u7528\u4e8e\u8ba1\u7b97\u4e8c\u7ef4\u6750\u6599\u7684\u673a\u68b0\u5265\u79bb\u80fd\u91cf\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/strong>A Rigorous Method of Calculating Exfoliation Energies from First Principles<\/a> (Nano Letters 2018, DOI: 10.1021\/acs.nanolett.7b04201)<\/p>\n

\u672c\u6587\u7531\u6750\u6599\u4eba\u8ba1\u7b97\u6750\u6599\u7ec4Annay\u4f9b\u7a3f\uff0c\u6750\u6599\u725b\u6574\u7406\u7f16\u8f91\u3002<\/p>\n

\u6750\u6599\u725b\u7f51\u4e13\u6ce8\u4e8e\u8ddf\u8e2a\u6750\u6599\u9886\u57df\u79d1\u6280\u53ca\u884c\u4e1a\u8fdb\u5c55\uff0c\u8fd9\u91cc\u6c47\u96c6\u4e86\u5404\u5927\u9ad8\u6821\u7855\u535a\u751f\u3001\u4e00\u7ebf\u79d1\u7814\u4eba\u5458\u4ee5\u53ca\u884c\u4e1a\u4ece\u4e1a\u8005\uff0c\u5982\u679c\u60a8\u5bf9\u4e8e\u8ddf\u8e2a\u6750\u6599\u9886\u57df\u79d1\u6280\u8fdb\u5c55\uff0c\u89e3\u8bfb\u9ad8\u6c34\u5e73\u6587\u7ae0\u6216\u662f\u8bc4\u8ff0\u884c\u4e1a\u6709\u5174\u8da3\uff0c\u70b9\u6211\u52a0\u5165\u7f16\u8f91\u90e8\u5927\u5bb6\u5ead<\/a>\u3002<\/p>\n

\u6b22\u8fce\u5927\u5bb6\u5230\u6750\u6599\u4eba\u5ba3\u4f20\u79d1\u6280\u6210\u679c\u5e76\u5bf9\u6587\u732e\u8fdb\u884c\u6df1\u5165\u89e3\u8bfb\uff0c\u6295\u7a3f\u90ae\u7bb1tougao@cailiaoren.com<\/a>\u3002<\/p>\n

\u6295\u7a3f\u4ee5\u53ca\u5185\u5bb9\u5408\u4f5c\u53ef\u52a0\u7f16\u8f91\u5fae\u4fe1\uff1acailiaokefu.<\/strong><\/p>\n

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\"\"<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

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