{"id":34508,"date":"2016-08-18T14:01:38","date_gmt":"2016-08-18T06:01:38","guid":{"rendered":"\/\/m.iemloyee.com\/?p=34508"},"modified":"2016-08-19T17:14:01","modified_gmt":"2016-08-19T09:14:01","slug":"%e9%a1%b6%e5%88%8a%e5%8a%a8%e6%80%81-prlpnasprb%e8%ae%a1%e7%ae%97%e6%9d%90%e6%96%99%e5%ad%a6%e6%9c%af%e8%bf%9b%e5%b1%95%e6%b1%87%e6%80%bb%e3%80%90%e7%ac%ac9%e6%9c%9f%e3%80%91","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=34508","title":{"rendered":"\u9876\u520a\u52a8\u6001 | PRL\/PNAS\/PRB\u8ba1\u7b97\u6750\u6599\u5b66\u672f\u8fdb\u5c55\u6c47\u603b\u3010\u7b2c9\u671f\u3011"},"content":{"rendered":"

1\u3001PRB \u8bbe\u8ba1\u7845\u70ef\u548c\u9517\u70ef\u886c\u5e95\uff1a\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97<\/strong><\/p>\n

\"1\"<\/p>\n

\u56fe1<\/strong> \u7845\u70ef\u548cAl2O3\uff080001\uff09\u4e4b\u95f4\u7684\u76f8\u4e92\u4f5c\u7528<\/p>\n

\u8fd1\u5e74\u91cc\u81ea\u4ece\u77f3\u58a8\u70ef\u53d1\u73b0\u4ee5\u6765\uff0c\u7845\u70ef\u3001\u9517\u70ef\u548c\u9521\u70ef\uff08stanene\uff09\u5df2\u7ecf\u5f15\u8d77\u4e86\u76f8\u5f53\u7684\u5173\u6ce8\uff0c\u8fd9\u662f\u7531\u4e8e\u4ed6\u4eec\u53ef\u4ee5\u5177\u6709\u5404\u79cd\u65b0\u5947\u7684\u7269\u7406\u73b0\u8c61\uff0c\u5982\u91cf\u5b50\u81ea\u65cb\u970d\u5c14\u6548\u5e94\u3001\u91cf\u5b50\u53cd\u5e38\u970d\u5c14\u6548\u5e94\u548c\u8c37\u970d\u5c14\u6548\u5e94\uff0c\u8fd9\u4e9b\u5f52\u7ed3\u4e8e\u72ec\u7279\u7684\u4e8c\u7ef4\u7cfb\u7edf\u4e2d\u7684\u7684\u72c4\u62c9\u514b\u7535\u5b50\u3002<\/p>\n

\u7f8e\u56fd\u5a01\u65af\u5eb7\u8f9b\u5927\u5b66\u7684M. X. Chen\uff08\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba\u63d0\u51fa\u4e86\u63a2\u7d22\u652f\u6301\u7a33\u5b9a\u7845\u70ef\u548c\u9517\u70ef\u7684\u5355\u5c42\u8702\u7a9d\u7ed3\u6784\u540c\u65f6\u4fdd\u6301\u72c4\u62c9\u514b\u72b6\u6001\u7684\u886c\u5e95\u7684\u6307\u5357\uff1a\u9664\u4e86\u5bf9\u5355\u5c42\u7ed3\u6784\u5177\u6709\u5f88\u5f3a\u7684\u7ed3\u5408\u80fd\u4e4b\u5916\uff0c\u5408\u9002\u7684\u886c\u5e95\u5e94\u4e3a\u5bbd\u5e26\u9699\u534a\u5bfc\u4f53\u4e14\u5177\u6709\u9002\u5f53\u7684\u529f\u51fd\u6570\uff0c\u56e0\u800c\u5b83\u4eec\u7684\u80fd\u5e26\u6392\u5217\u65f6\u72c4\u62c9\u514b\u70b9\u4f4d\u4e8e\u5e26\u9699\u4e2d\u4e14\u8fdc\u79bb\u886c\u5e95\u6001\u3002\u7814\u7a76\u5c0f\u7ec4\u901a\u8fc7\u5bf9Al\u7ec8\u7aef\u7684Al2O3\uff080001\uff09\u4e0a\u7684\u7845\u70ef\u548c\u9517\u70ef\u7684\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u9610\u91ca\u4e86\u8bf4\u660e\u4ed6\u4eec\u7684\u601d\u8def\u3002Al\u7ec8\u7aef\u7684Al2O3\uff080001\uff09\u4e0a\u8986\u76d6\u7684\u5355\u5c42\u7684\u4e3b\u8981\u7ed3\u6784\u4fdd\u6301\u4e3a\u4f4e\u6263\u8702\u7a9d\u5f62\u6001\uff0c\u8fd9\u662f\u901a\u8fc7\u53ef\u4ee5\u76f8\u6bd4\u4e8e\u7845\u70ef\u548c\u94f6\uff08111\uff09\u4e4b\u95f4\u7684\u7ed3\u5408\u80fd\u5b9e\u73b0\u3002k-\u6295\u5f71\u6cd5\u63a8\u5bfc\u5f97\u5230\u7684\u5c55\u5f00\u5e26\u7ed3\u6784\u8868\u660e\u7531\u4e8e\u7ed3\u6784\u53d8\u5f62\u4ee5\u53ca\u4e0e\u886c\u5e95\u7684\u76f8\u4e92\u4f5c\u7528\u5bfc\u81f4\u5728K\u70b9\u5f62\u6210\u5e26\u9699\u72c4\u62c9\u514b\u9525\u3002\u886c\u5e95\u652f\u6491\u7684\u7845\u70ef\u548c\u9517\u70ef\u5206\u522b\u5177\u67090.4\u548c0.3 eV\u7684\u5e26\u9699\uff0c\u8fd9\u8868\u660e\u5b83\u4eec\u53ef\u80fd\u5728\u7eb3\u7c73\u7535\u5b50\u5b66\u4e2d\u5177\u6709\u6f5c\u5728\u7684\u5e94\u7528\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/strong>Designing substrates for silicene and germanene: First-principles calculations <\/a>\uff08Physical Review B\uff0c2016\uff0cDOI:10.1103\/PhysRevB.94.075409\uff09<\/p>\n

2\u3001PRB \u4e8c\u7ef4IV\u65cf\u5355\u786b\u65cf\u5316\u5408\u7269\u7684\u7a7a\u4f4d\u548c\u6c27\u5316<\/strong><\/p>\n

\"2\"<\/p>\n

\u56fe2<\/strong> \u6c27\u653e\u7f6e\u4f4d\u4e8e\u4e0d\u540c\u7684\u5b50\u5c42\u548c\u76f8\u540c\u5b50\u5c42\u65f6\u7684\u95f4\u9699\u6c27\u6a21\u578b O-IB-pp \u548c O-IB-pa<\/p>\n

\u76ee\u524d\uff0c\u5df2\u7ecf\u901a\u8fc7\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u5bf9SnS\u3001SnSe\u3001GeS\u548cGeSe\u7b49\u4e8c\u5143IV\u65cf\u5355\u786b\u65cf\u5316\u5408\u7269\u7684\u70b9\u7f3a\u9677\u8fdb\u884c\u4e86\u5e7f\u6cdb\u5730\u7814\u7a76\u3002<\/p>\n

\u5df2\u7ecf\u53d1\u73b0\u4e86\u51e0\u4e2a\u7a33\u5b9a\u7684\u5177\u6709\u6c27\u7f3a\u9677\u7684\u914d\u7f6e\uff0c\u4f46\u662f\u65b0\u52a0\u5761\u56fd\u7acb\u5927\u5b66\u7684L\u00eddia C. Gomes\uff08\u901a\u8baf\u4f5c\u8005\uff09\u3001 A. Carvalho\uff08\u901a\u8baf\u4f5c\u8005\uff09\u548cA. H. Castro Neto\uff08\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba\u63d0\u4f9b\u7684\u8bc1\u636e\u8868\u660e\u8fd9\u4e9b\u6750\u6599\u76f8\u6bd4\u78f7\u70ef\u4e0d\u6613\u6c27\u5316\uff0c\u6b64\u5916\u5b83\u4eec\u7684\u5355\u786b\u65cf\u5316\u5408\u7269\u662f\u7b49\u7535\u5b50\u4e14\u5177\u6709\u76f8\u540c\u7684\u659c\u65b9\u6676\u7cfb\u7ed3\u6784\u3002\u636e\u9884\u8ba1\u5e76\u884c\u6c27\u7f3a\u9677\u5305\u62ec\u6c27\u7a7a\u4f4d\u548c\u66ff\u4f4d\u5f0f\u6c27\u3002\u7814\u7a76\u8bc1\u660e\u4e86\u5728\u80fd\u91cf\u5b66\u4e0a\u6c27\u88ab\u5438\u7eb3\u5230\u5c42\u4e2d\u5e76\u66ff\u4ee3\u786b\u5c5e\u5143\u7d20\uff08OS \/Se\u7f3a\u9677\uff09\u662f\u6709\u5229\u7684\uff0c\u6b64\u5916\u4e0d\u540c\u4e8e\u6b64\u524d\u7814\u7a76\u7684\u5927\u591a\u6570\u7684\u7f3a\u9677\uff0c\u8fd9\u79cd\u7f3a\u9677\u80fd\u591f\u4fdd\u6301\u6750\u6599\u7684\u7535\u5b50\u7ed3\u6784\u4e0d\u53d1\u751f\u6539\u53d8\u3002\u56e0\u800c\uff0c\u7814\u7a76\u4eba\u5458\u8ba4\u4e3a\u9000\u706b\u5bf9\u4e8e\u529f\u80fd\u6750\u6599\u7684\u5904\u7406\u662f\u5341\u5206\u6709\u7528\u7684\uff0c\u5728\u8fd9\u4e9b\u6750\u6599\u4e2d\u9700\u8981\u907f\u514d\u7531\u7f3a\u9677\u5f15\u8d77\u7684\u635f\u5931\u673a\u5236\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5:<\/strong>Vacancies and oxidation of two-dimensional group-IV monochalcogenides <\/a>\uff08Physical Review B\uff0c2016\uff0cDOI:10.1103\/PhysRevB.94.054103\uff09<\/p>\n

3\u3001PRB SnSe\u4e2d\u7684\u975e\u7b80\u8c10\u58f0\u5b50\u548c\u8d1f\u70ed\u81a8\u80c0\u6027\u8d28<\/strong><\/p>\n

\"3\"<\/p>\n

\u56fe3<\/strong> Pnma\uff08a\uff09\u548cCmcm\uff08b\uff09\u76f8\u7684SnSe\u6676\u4f53\u7ed3\u6784\uff0c\u4ee5\u53ca\u76f8\u5bf9\u5e94\u7684Sn-Se\u952e\u7684\u72b6\u6001\u3002<\/p>\n

\u76ee\u524d\uff0c\u70ed\u7535\u6750\u6599\u662f\u66f4\u5177\u6210\u672c\u6548\u76ca\u3001\u53ef\u9760\u80fd\u6e90\u8f6c\u6362\u8fd0\u7528\u65b9\u9762\u7684\u7814\u7a76\u70ed\u70b9\u3002\u4e3a\u4e86\u63d0\u9ad8\u70ed\u7535\u8f6c\u5316\u6548\u7387\uff0c\u70ed\u7535\u6750\u6599\u9700\u8981\u4f4e\u7684\u70ed\u5bfc\u7387\uff0c\u540c\u65f6\u4fdd\u6301\u9ad8\u7684\u5bfc\u7535\u6027\u3002\u58f0\u5b50\u662f\u71b5\u548c\u70ed\u5bb9\u91cf\u7684\u4e3b\u8981\u8d21\u732e\u8005\uff0c\u540c\u65f6\u58f0\u5b50\u4e5f\u662f\u534a\u5bfc\u4f53\u4e2d\u4e3b\u8981\u7684\u70ed\u8f7d\u6d41\u5b50\uff0c\u6240\u4ee5\u5fc5\u987b\u8be6\u7ec6\u5730\u4e86\u89e3\u58f0\u5b50\u6765\u5408\u7406\u89e3\u91ca\u70ed\u529b\u5b66\u548c\u70ed\u7535\u6750\u6599\u7684\u70ed\u4f20\u8f93\u7279\u6027\u3002\u7852\u5316\u9521\uff08SnSe\uff09\u6700\u8fd1\u62a5\u9053\u83b7\u5f97\u4e86\u5f88\u597d\u7684\u70ed\u7535\u7cfb\u6570\uff0c\u7528Na\u63ba\u6742\u7684\u6837\u54c1\u80fd\u5728\u8f83\u5bbd\u7684\u6e29\u5ea6\u8303\u56f4\u5185\u4fdd\u6301\u9ad8\u529f\u7387\u56e0\u6570\uff0c\u800c\u4e14\uff0cSnSe\u7684\u8d85\u6676\u683c\u70ed\u5bfc\u7387\u5728\u70ed\u7535\u5e94\u7528\u4e0a\u7684\u5f15\u8d77\u4e86\u4eba\u4eec\u6781\u5927\u7684\u5174\u8da3\uff0c\u5e76\u4e14\u5df2\u7ecf\u901a\u8fc7\u4ece\u5934\u8ba1\u7b97\u6cd5\u8fdb\u884c\u4e86\u6a21\u62df\u5b9e\u9a8c\u7814\u7a76\u3002<\/p>\n

\u6700\u8fd1\uff0c\u7f8e\u56fd\u6a61\u6811\u5cad\u56fd\u5bb6\u5b9e\u9a8c\u5ba4Dipanshu Bansal\uff08\u901a\u8baf\u4f5c\u8005\uff09\u548c\u7f8e\u56fd\u675c\u514b\u5927\u5b66\/\u7f8e\u56fd\u6a61\u6811\u5cad\u56fd\u5bb6\u5b9e\u9a8c\u5ba4Olivier Delaire\uff08\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba\u901a\u8fc7\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u548c\u5b9e\u9a8c\u7684\u65b9\u6cd5\u7814\u7a76\u4e86SnSe Pnma\u76f8\u4e2d\u975e\u7b80\u8c10\u58f0\u5b50\u7684\u6027\u8d28\u3002\u4ed6\u4eec\u4f7f\u7528\u975e\u5f39\u6027\u4e2d\u5b50\u6563\u5c04\uff08INS\uff09\u548c\u6838\u5171\u632f\u975e\u5f39\u6027X\u5c04\u7ebf\u6563\u5c04\uff08NRIXS\uff09, \u6d4b\u91cf\u58f0\u5b50\u8c31\u548c\u6001\u5bc6\u5ea6\u4ee5\u53ca\u6e29\u5ea6\u4f9d\u8d56\u6027\u3002\u7b2c\u4e00\u6027\u539f\u7406\u6a21\u62df\u662f\u4e3a\u4e86\u4f7f\u8fd9\u4e9b\u6d4b\u91cf\u5408\u7406\u5316\uff0c\u5e76\u89e3\u91ca\u5148\u524d\u62a5\u9053\u7684\u5404\u5411\u5f02\u6027\u70ed\u81a8\u80c0\uff0c\u7279\u522b\u662f\u5728\u9521\u7852\u53cc\u5c42\u7ed3\u6784\u7684\u8d1f\u70ed\u81a8\u80c0\u6027\u8d28\u3002\u7ed3\u8bba\u8868\u660e\uff1a\u5bf9\u4e8e\u8d1f\u70ed\u81a8\u80c0\u7684\u518d\u73b0\uff0c\u9664\u4e86\u7535\u5b50\u57fa\u6001\u80fd\u91cf\uff0c\u4f9d\u8d56\u4e8e\u58f0\u5b50\u81ea\u7531\u80fd\u7684\u5404\u5411\u5f02\u6027\u5e94\u53d8\u662f\u5fc5\u8981\u7684\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/strong>Phonon anharmonicity and negative thermal expansion in SnSe<\/a>\uff08Physical Review B\uff0c2016\uff0c DOI: 10.1103\/PhysRevB.94.054307\uff09\u3002<\/p>\n

4\u3001PNAS \u6eb6\u5242\u5316\u6548\u5e94\u7684\u4ece\u5934\u7b97\u5206\u5b50\u52a8\u529b\u5b66\u5e26\u7535\u754c\u9762\u53cd\u5e94\u6027\u7814\u7a76<\/strong><\/p>\n

\"4\"<\/p>\n

\u56fe4<\/strong> CH3OH*\u3001CH2OH*\u548cOCH3*\u5728Pt\u7684\uff08111\uff09\u6676\u9762\u4e0a\u4ee5\uff08A\uff09\u6c14\u6001\uff08B\uff09\u6db2\u6001\u5b58\u5728\u65f6\u5019\u7684\u6a21\u578b\u56fe<\/p>\n

\u4f4e\u6e29\u71c3\u6599\u7535\u6c60\u662f\u9ad8\u6548\u7684\u80fd\u91cf\u8f6c\u6362\u88c5\u7f6e\uff0c\u4f46\u662f\u5728\u9762\u4e34\u5546\u4e1a\u5316\u4e0a\u5b58\u5728\u4e00\u4e9b\u969c\u788d\uff0c\u5305\u62ec\u50a8\u6c22\u65b9\u9762\u7684\u56f0\u96be\u3002\u7532\u9187\u662f\u4e00\u79cd\u66ff\u4ee3\u6c22\u7684\u6db2\u6001\u71c3\u6599\uff0c\u7136\u800c\uff0c\u57fa\u4e8e\u94c2\u50ac\u5316\u5242\u7684\u71c3\u6599\u7535\u6c60\u7531\u4e8e\u6210\u672c\u9ad8\u6602\uff0c\u9650\u5236\u4e86\u5176\u5728\u7ecf\u6d4e\u4e0a\u7684\u53ef\u884c\u6027\u3002\u56e0\u6b64\uff0c\u4e3a\u4e86\u6539\u8fdb\u6280\u672f\uff0c\u8bbe\u8ba1\u51fa\u4f4e\u6210\u672c\u7684\u50ac\u5316\u5242\uff0c\u7814\u7a76\u8005\u5fc5\u987b\u5bf9\u7532\u9187\u6c27\u5316\u53cd\u5e94\u673a\u5236\u6709\u6240\u7406\u89e3\u3002\u867d\u8bf4\u5efa\u7acb\u8fd9\u4e9b\u590d\u6742\u7684\u53cd\u5e94\u73af\u5883\u6a21\u578b\uff08\u4f8b\u5982\uff0c\u5e26\u7535\u7535\u6781\u7684\u6eb6\u5242\u5316\uff09\u975e\u5e38\u5177\u6709\u6311\u6218\u6027\uff0c\u4f46\u662f\u5728\u9610\u660e\u8fd9\u4e9b\u53cd\u5e94\u673a\u5236\u4e0a\uff0c\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u8ba1\u7b97\u5df2\u6210\u4e3a\u975e\u5e38\u6709\u6548\u7684\u7406\u8bba\u8ba1\u7b97\u6280\u672f\u3002<\/p>\n

\u8fd1\u65e5\uff0c\u7f8e\u56fd\u5a01\u65af\u5eb7\u661f\u5927\u5b66\u9ea6\u8fea\u900a\u5206\u6821\u7684Manos Mavrikakis\uff08\u901a\u8baf\u4f5c\u8005\uff09\u4ee5\u53ca\u65e5\u672c\u5927\u962a\u5927\u5b66\u7684Yoshitada Morikawa\uff08\u901a\u8baf\u4f5c\u8005\uff09\u56e2\u961f\u5229\u7528\u4ece\u5934\u7b97\u5206\u5b50\u52a8\u529b\u5b66\u4f5c\u4e3a\u5b9e\u65bd\u5468\u671f\uff0c\u81ea\u6d3d\uff08Perdew\u2013Burke\u2013Ernzerhof\u5e7f\u4e49\u68af\u5ea6\u8fd1\u4f3c\uff09\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff0c\u4ed6\u4eec\u63a2\u7a76\u4e86\u5728Pt\u7684\uff08111\uff09\u6676\u9762\u4e0a\u7532\u9187\u7684\u7535\u6c27\u5316\u673a\u7406\u3002\u4ed6\u4eec\u7814\u7a76\u4e86\u6c34\u6eb6\u5242\u4ee5\u53ca\u7535\u6781\u7535\u52bf\u5728\u80fd\u91cf\u8f6c\u79fb\u8fc7\u7a0b\u4e2d\u9996\u4e2a\u8d28\u5b50\u8f6c\u79fb\u65f6\u7684\u4f5c\u7528\uff0c\u7532\u9187\u7535\u6c27\u5316\u6210\u7532\u6c27\u57fa\uff08CH3O\uff09\u6216\u8005\u7f9f\u7532\u57fa\uff08CH2OH\uff09\u3002\u7ed3\u679c\u8868\u660e\uff0c\u6eb6\u5242\u5316\u4f5c\u7528\u80fd\u591f\u51cf\u5f31\u4e0d\u5e26\u7535Pt\u7684\uff08111\uff09\u6676\u9762\u5bf9\u7532\u6c27\u57fa\u7684\u5438\u9644\uff0c\u4f46\u5bf9\u7532\u9187\u548c\u7532\u57fa\u7ed3\u5408\u80fd\u7684\u5f71\u54cd\u4e0d\u663e\u8457\u3002\u4e8e\u662f\uff0c\u7814\u7a76\u4eba\u5458\u901a\u8fc7\u4f7f\u7528\u4ece\u5934\u7b97\u5206\u5b50\u52a8\u529b\u5b66\u4e2d\u7684\u5e03\u9c81\u59c6\u6548\u5e94\u8ba1\u7b97\u4e86\u6253\u7834C-H\u952e\u548cO-H\u952e\u6240\u9700\u7684\u6d3b\u5316\u81ea\u7531\u80fd\u5927\u5c0f\u3002\u975e\u6eb6\u5242\u5316\u57fa\u672c\u6b65\u9aa4\u4e2d\u7684\u8ba1\u7b97\u80fd\u5792\uff0c\u4e0d\u5e26\u7535\u7684Pt\u7684\uff08111\uff09\u6676\u9762\u7c7b\u4f3c\u4e8e\u4ece\u6587\u732e\u4e0a\u6240\u77e5\u7684\u5f39\u6027\u80fd\u5e26\u8ba1\u7b97\u7ed3\u679c\u7684\u4e0a\u884c\u56fe\u50cf\u3002\u901a\u8fc7\u6c34\u7684\u84b8\u6c14\u80fd\uff0c\u5176\u6eb6\u5242\u5316\u6548\u5e94\u53ef\u4ee5\u51cf\u5c0f\u4e86C-H\u548cO-H\u952e\u6d3b\u5316\u8fc7\u7a0b\u4e2d\u7684\u80fd\u5792\uff0c\u5176\u4e2d\u7531\u4e8e\u6c22\u952e\u7f51\u7edc\u7684\u7834\u574f\u5c11\uff0c\u6240\u4ee5\u5bf9\u4e8e\u51cf\u5c11C-H\u952e\u6d3b\u5316\u8fc7\u7a0b\u4e2d\u80fd\u5792\u7684\u6548\u5e94\u66f4\u52a0\u663e\u8457\u3002\u901a\u8fc7\u8ba1\u7b97\u6d3b\u5316\u80fd\u80fd\u5792\u8868\u660e\uff0c\u5728\u6eb6\u5242\u5316\u8d1f\u504f\u538b\u6216\u4e0d\u5e26\u7535\u7684Pt\u7684\uff08111\uff09\u6676\u9762\u4e0a\u7834\u574f\u7532\u9187\u4e2d\u7684C-H\u952e\u76f8\u8f83\u4e8eO-H\u952e\u66f4\u52a0\u5bb9\u6613\u3002\u7136\u800c\uff0c\u5bf9\u4e8e\u6b63\u504f\u538b\uff0cO-H\u7684\u6d3b\u5316\u63d0\u9ad8\u4e86\uff0c\u4f7f\u5f97\u5176\u6bd4C-H\u7684\u6d3b\u5316\u8981\u7565\u5fae\u5bb9\u6613\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/strong>Ab initio molecular dynamics of solvation effects on reactivity at electrified interfaces <\/a>\uff08PNAS\uff0c2016 \uff0cDOI: 10.1073\/pnas.1604590113\uff09<\/p>\n

5\u3001PRB \u6c27\u5316\u950c\uff08ZnO\uff09\u4e2d\u78b3\u6742\u8d28\u6027\u8d28\uff1a\u4e00\u79cd\u6df7\u5408\u529f\u80fd\u7814\u7a76<\/strong><\/p>\n

\"5\"<\/p>\n

\u56fe5<\/strong> \u5bf9\u5f62\u6210\u80fd\u7684\u8ba1\u7b97\u7ed3\u679c\u56fe\uff0c\u5176\u4e2d\uff08a\uff09\u5bccZn\u6761\u4ef6\u4e0b\uff1b\uff08b\uff09\u5bccO\u6761\u4ef6\u4e0b\uff1b\u548c\uff08c\uff09\u4e09\u79cd\u95f4\u9699\u4f4d\u7f6e<\/p>\n

\u78b3\u63ba\u6742\u7684ZnO\u4ee5\u53ca\u63d0\u9ad8\u63ba\u6742\u78b3\u6d53\u5ea6\u540e\u8be5\u79cdZnO\u5728\u5ba4\u6e29\uff08RT\uff09\u4e0b\u7684\u94c1\u78c1\u6027\u673a\u5236\uff0c\u8f83\u5c0f\u7684\u9971\u548c\u78c1\u77e9\uff08Ms\uff09\uff0c\u957f\u671f\u4ee5\u6765\u4e00\u76f4\u5b58\u5728\u4e89\u8bae\u548c\u7591\u56e2\u3002<\/p>\n

\u8fd1\u65e5\uff0c\u4e0a\u6d77\u4ea4\u901a\u5927\u5b66\u4eba\u5de5\u7ed3\u6784\u53ca\u91cf\u5b50\u8c03\u63a7\u6559\u80b2\u90e8\u91cd\u70b9\u5b9e\u9a8c\u5ba4\u7684\u674e\u5e73\uff08\u901a\u8baf\u4f5c\u8005\uff09\u548c\u7f57\u536b\u4e1c\uff08\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba\u4f7f\u7528\u6df7\u5408\u51fd\u6570\u7684\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u8ba1\u7b97\uff0c\u5b9a\u6027\u5730\u7406\u89e3\u8fd9\u4e9b\u5b9e\u9a8c\u73b0\u8c61\u3002Co\u7684\u66ff\u4ee3\u7f3a\u9677\u4e3b\u5bfc\u7740\u5bccZn\u6001\u548cn\u578b\u534a\u5bfc\u4f53\u6750\u6599\u3002\u5b83\u4eec\u542b\u67091\u52302 \u03bcB\/C\uff0c\u5177\u4f53\u6570\u503c\u53d6\u51b3\u4e8e\u8d39\u7c73\u80fd\u7ea7\u7684\u4f4d\u7f6e\u3002\u5728\u5ba4\u6e29\u4e0b\uff0c\u78b3\u6d53\u5ea6\u8f83\u4f4e\u65f6\uff0cCo\u7f3a\u9677\u4fdd\u6301\u88ab\u9694\u79bb\u72b6\u6001\uff0c\u5e76\u4e14\u503e\u5411\u4e8e\u8fdb\u884c\u94c1\u78c1\u8026\u5408\uff0c\u56e0\u6b64\uff0c\u78c1\u77e9\u8f83\u5927\u3002\u800c\u5f53\u78b3\u6d53\u5ea6\u589e\u52a0\u65f6\uff0c\u975e\u78c1\u6027\u7684C2\u4e8c\u805a\u4f53\u901a\u8fc7\u7ed3\u5408\u4e24\u4e2aCo\u7f3a\u9677\u6216\u8005\u7ed3\u5408\u4e00\u4e2aCo\u7f3a\u9677\u548c\u4e00\u4e2a\u95f4\u9699C\u800c\u5f62\u6210\uff0c\u56e0\u6b64\uff0c\u78c1\u77e9\u51cf\u5c0f\u3002\u8be5\u7814\u7a76\u56e2\u961f\u7684\u6210\u679c\u540c\u65f6\u8868\u660e\uff0cCo\u7f3a\u9677\u6240\u5f15\u8d77\u7684\u94c1\u78c1\u6027\u53ef\u4ee5\u88ab\u66f4\u9ad8\u7684\u9000\u706b\u6e29\u5ea6\u6d88\u78c1\u3002\u6b64\u5916\uff0c\u672c\u7814\u7a76\u4e0d\u652f\u6301\u78b3\u63ba\u6742\u7684p\u578b\u5bfc\u7535\u6027\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/strong>Properties of carbon impurities in ZnO: A hybrid functional study <\/a>\uff08Phys. Rev. B \uff0c2016\uff0cDOI: 10.1103\/PhysRevB.94.075202\uff09<\/p>\n

6\u3001PRB \u4f4e\u6e29\u9ad8\u538b\u4e0b\u94b4\u7684\u7ed3\u6784\u548c\u78c1\u6027<\/strong><\/p>\n

\"6\"<\/p>\n

\u56fe6<\/strong> \u5ba4\u6e29\u4e0b\uff0cXRD\u884d\u5c04\u56fe\u50cf<\/p>\n

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\u8fd1\u65e5\uff0c\u6cd5\u56fd\u6b27\u6d32\u540c\u6b65\u8f90\u5c04\u5b9e\u9a8c\u5ba4R. Torchio\uff08\u7b2c\u4e00\u4f5c\u8005\uff09\u7b49\u4eba\u91c7\u7528\u504f\u8f6c\u540c\u6b65\u8f90\u5c04X\u5c04\u7ebf\u78c1\u5706\u4e8c\u8272\u8c31\u548c\u540c\u6b65\u8f90\u5c04X\u5c04\u7ebf\uff0c\u4ee5\u53ca\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u8ba1\u7b97\u7814\u7a76\u4e86\u94b4\u5728\u4f4e\u6e29\u9ad8\u538b\u4e0b\u7684\u7ed3\u6784\u548c\u94c1\u78c1\u6027\u3002\u7814\u7a76\u53d1\u73b0\u8f74\u5411\u5e94\u529b\u5728hcp-fcc\u7684\u6676\u578b\u8f6c\u53d8\u4e2d\u626e\u6f14\u7740\u538b\u529b\u7684\u4f5c\u7528\u3002\u6b64\u5916\uff0c\u7814\u7a76\u8005\u8fd8\u901a\u8fc7\u5b9e\u9a8c\u8bc1\u660e\u4e86c\/a\u8f74\u538b\u529b\u6bd4\u503c\u7684\u5bfc\u6570\u4e0e\u78c1\u6027\u884c\u4e3a\u76f8\u5173\u3002\u572850K\uff0c\u9ad8\u4e8e130GPa\u7684\u4e24\u79cd\u6676\u578b\u5171\u5b58\u533a\uff0c\u94b4\u5c06\u5931\u53bb\u94c1\u78c1\u6027\u3002\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u8ba1\u7b97\u6307\u51fa\u8f6c\u540c\u6b65\u8f90\u5c04X\u5c04\u7ebf\u78c1\u5706\u4e8c\u8272\u8c31\u4e0e4P\u8f68\u9053\u7684\u78c1\u529b\u77e9\u6709\u5173\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/strong>Structure and magnetism of cobalt at high pressure and low temperature<\/a>\uff08Physical Review B\uff0c2016\uff0cDOI: 10.1103\/PhysRevB.94.024429\uff09<\/p>\n

7\u3001PRB \u5229\u7528\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u9ad8\u50a8\u80fd\u5bc6\u5ea6PVDF\u5171\u805a\u7269\u7cfb\u7edf\u7684\u76f8\u56fe<\/strong><\/p>\n

\"7\"<\/p>\n

\u56fe7<\/strong> PVDF\u6676\u578b\u548c\u5171\u805a\u7269\u5355\u5143\u7684\u51e0\u4f55\u793a\u610f\u56fe<\/p>\n

\u805a\u504f\u6c1f\u4e59\u70ef\uff08PVDF\uff09\u662f\u4e00\u79cd\u542b\u6c1f\u534a\u7ed3\u6676\u805a\u5408\u7269\uff0c\u5177\u6709\u826f\u597d\u7684\u7ed3\u6676\u6027\uff0c\u53ef\u5f62\u6210\u03b1\u3001\u03b2\u3001\u03b3\u4e09\u79cd\u4e3b\u8981\u6676\u578b\uff0c\u4e14\u5177\u6709\u4e0d\u540c\u7684\u7269\u7406\u6027\u8d28\uff0c\u5176\u4e2d\u03b2\u578b\u7531\u4e8e\u5206\u5b50\u94fe\u4ee5\u5168\u53cd\u5f0f\u6784\u8c61\u6392\u5165\u6676\u683c\u800c\u5177\u6709\u826f\u597d\u7684\u538b\u7535\u6027\u3002\u76ee\u524d\uff0c\u4ee5PVDF\u4e3a\u57fa\u7684\u5171\u805a\u7269\u7531\u4e8e\u5177\u6709\u66f4\u9ad8\u7684\u50a8\u80fd\u5bc6\u5ea6\u800c\u5f15\u8d77\u4e86\u5e7f\u6cdb\u5173\u6ce8\uff0c\u56e0\u800c\u6709\u5fc5\u8981\u5bf9PVDF\u5171\u805a\u7269\u7cfb\u7edf\u7684\u76f8\u56fe\u8fdb\u884c\u7814\u7a76\u3002<\/p>\n

\u8fd1\u65e5\uff0c\u7f8e\u56fd\u5317\u5361\u7f57\u83b1\u7eb3\u5dde\u7acb\u5927\u5b66Rui Dong\uff08\u7b2c\u4e00\u4f5c\u8005\uff09\u7b49\u4eba\u901a\u8fc7\u7b2c\u4e00\u6027\u539f\u7406\u6a21\u62df\u7814\u7a76\u4e86PVDF\u4e3a\u57fa\u7684\u5171\u805a\u7269\u7cfb\u7edf\uff1aP(VDF-BTFE) \u548c P(VDF-HFP)\u7684\u5e73\u8861\u76f8\u8f6c\u53d8\u4ee5\u53ca\u76f8\u53d8\u9014\u5f84\uff0c\u5e76\u4e0e\u4e4b\u524d\u7814\u7a76\u7684 P(VDF-CTFE)\u8fdb\u884c\u4e86\u6bd4\u8f83\u3002\u7814\u7a76\u53d1\u73b0\uff0c\u5728\u8fd9\u4e24\u5171\u805a\u7269\u4e2d\u5747\u5b58\u5728\u975e\u6781\u6027\u5411\u6781\u6027\u8f6c\u53d8\u7684\u673a\u5236\u3002\u5c06CTFE\uff0c HFP\u548c BTFE\u52a0\u5165PVDF\u4e2d\uff0c\u5747\u4ee5\u76f8\u4f3c\u5730\u65b9\u5f0f\u5f71\u54cdPVDF\u7684\u76f8\u5e73\u8861\u548c\u7ed3\u6676\u8fc7\u7a0b\uff0c\u56e0\u800c\u53ef\u4ee5\u8bbe\u8ba1PVDF\u5171\u805a\u7269\u7cfb\u7edf\u4ee5\u4fbf\u83b7\u5f97\u60f3\u8981\u7684\u4ecb\u7535\u6027\u80fd\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/strong>First-principles simulations of PVDF copolymers with high dielectric energy density:PVDF-HFP and PVDF-BTFE<\/a>\uff08Physical Review B\uff0c2016\uff0cDOI: 10.1103\/PhysRevB.94.014210\uff09<\/p>\n

\u672c\u671f\u6587\u732e\u6c47\u603b\u7531\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u8ba1\u7b97\u6750\u6599\u7ec4carbon\u3001\u5929\u884c\u5065\u3001\u674e\u4ea6\u56de\u548c\u9ec4\u654f\u4f9b\u7a3f\uff0c\u6750\u6599\u725b\u7f16\u8f91\u6574\u7406\u3002<\/p>\n

\u6b22\u8fce\u8bd5\u7528\u6750\u6599\u4eba\u4ee3\u7406\u7684\u5929\u6cb32\u53f7\u8d85\u7ea7\u8ba1\u7b97\u673a<\/strong>\uff1b\u53c2\u4e0e\u8ba1\u7b97\u6750\u6599\u8bdd\u9898\u8ba8\u8bba\uff0c\u8bf7\u52a0\u5165\u6750\u6599\u4eba\u8ba1\u7b97\u6750\u6599\u7fa4\uff08562663183\uff09\uff1b\u53c2\u4e0e\u8ba1\u7b97\u6750\u6599\u6587\u732e\u89e3\u8bfb\u548c\u6587\u732e\u6c47\u603b\u53ca\u8ba1\u7b97\u6750\u6599\u77e5\u8bc6\u79d1\u666e\u7b49\uff0c\u8bf7\u52a0\u5165\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u8ba1\u7b97\u6750\u6599\u7ec4\uff08\u62a5\u540d\u8bf7\u6233\u6211<\/a>\uff09\u6216\u8005\u8054\u7cfb\uff1a\u7075\u5bf8\uff08418703364\uff09\u3002<\/p>\n

\"\u6750\u6599\u4eba\"<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

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