{"id":121460,"date":"2018-01-15T06:30:06","date_gmt":"2018-01-14T22:30:06","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=121460"},"modified":"2018-05-15T20:55:50","modified_gmt":"2018-05-15T12:55:50","slug":"121460","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=121460","title":{"rendered":"\u68b3\u7406\uff1a\u8fd1\u5e74Nature\/Science\u9876\u520a\u4e0a\u6750\u6599&#038;\u5316\u5b66\u8bba\u6587\u5bf9\u7b2c\u4e00\u6027\u539f\u7406\u7684\u5e94\u7528"},"content":{"rendered":"<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-121461\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2018\/01\/dft.png\" alt=\"\" width=\"700\" height=\"388\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2018\/01\/dft.png 700w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2018\/01\/dft-300x166.png 300w\" sizes=\"(max-width: 700px) 100vw, 700px\" 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schlom\uff08\u901a\u8baf\u4f5c\u8005\uff09\u62a5\u9053\u4e86\u4e00\u79cd\u6784\u5efa\u5ba4\u6e29\u6761\u4ef6\u4e0b\u94c1\u7535\u548c\u78c1\u6027\u8026\u5408\u7684\u5355\u76f8\u591a\u94c1\u6750\u6599\u7684\u65b0\u65b9\u6cd5\u3002\u4f5c\u8005\u91c7\u7528LuFe<sub>2<\/sub>O<sub>4<\/sub>\u4f5c\u4e3a\u8868\u9762\u77e9\u9635\uff0c\u5728\u5408\u6210\u8fc7\u7a0b\u4e2d\u5f15\u5165\u7279\u6b8a\u7684FeO\u5355\u5c42\u6750\u6599\uff0c\u8fd9\u6837\u5b9e\u73b0\u4e86(LuFeO<sub>3<\/sub>)m\/(LuFe<sub>2<\/sub>O<sub>4<\/sub>)1\u8d85\u6676\u80de\u7684\u6784\u5efa\u3002\u7531\u4e8e\u76f8\u90bb\u7684LuFeO<sub>3<\/sub>\u7684\u8868\u9762\u4e25\u91cd\u7684\u8936\u76b1\u6548\u5e94\u53ef\u4ee5\u4f7f\u5f97\u5177\u6709\u94c1\u78c1\u6027\u7684LuFe<sub>2<\/sub>O<sub>4<\/sub>\u4ea7\u751f\u540c\u6b65\u7684\u94c1\u7535\u6027\u8d28\uff0c\u540c\u65f6\u53ef\u4ee5\u964d\u4f4e\u5176\u7535\u5b50\u81ea\u65cb\u7684\u65e0\u5e8f\u6027\u548c\u4e0d\u7a33\u5b9a\u6027\uff0c\u8fd9\u6837\u5927\u5e45\u5ea6\u5f97\u63d0\u9ad8\u4e86\u78c1\u6027\u76f8\u53d8\u6e29\u5ea6(\u4ece240k(LuFe<sub>2<\/sub>O<sub>4<\/sub>)\u63d0\u9ad8\u5230\u4e86281k((LuFeO<sub>3<\/sub>)m\/(LuFe<sub>2<\/sub>O<sub>4<\/sub>)1))\u3002\u6b64\u5916\uff0c\u94c1\u7535\u5e8f\u53c2\u91cf\u548c\u94c1\u78c1\u5e8f\u53c2\u91cf\u76f8\u4e92\u8026\u5408\uff0c\u53ef\u4ee5\u5b9e\u73b0\u4e4b\u95f4\u7684\u5728200k\u6e29\u5ea6\u6761\u4ef6\u4e0b\u7535\u573a\u5bf9\u4e8e\u78c1\u6027\u7684\u8c03\u63a7\u3002\u8be5\u7814\u7a76\u4e5f\u5f88\u597d\u5f97\u9610\u91ca\u4e86\u8be5\u5408\u6210\u65b9\u6848\u7684\u8bbe\u8ba1\u53ef\u4ee5\u5f88\u597d\u5f97\u5236\u5907\u51fa\u5177\u6709\u8f83\u9ad8\u6e29\u5ea6\u6761\u4ef6\u4e0b\u7684\u78c1\u7535\u8026\u5408\u7684\u591a\u94c1\u6750\u6599\uff0c\u5e76\u4e14\u5f88\u597d\u5f97\u5229\u7528\u4e86\u8be5\u7c7b\u6750\u6599\u7684\u51e0\u4f55\u4e0d\u7a33\u5b9a\u6027\u3001\u6676\u683c\u7684\u53d8\u5f62\u4ee5\u53ca\u5916\u5ef6\u751f\u957f\u6280\u672f\uff0c\u6210\u529f\u8bbe\u8ba1\u51fa\u7406\u60f3\u7684\u78c1\u7535\u8026\u5408\u6750\u6599\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-43898\" src=\"http:\/\/dn.cailiaoniu.com\/2016\/09\/nature19343-f3.jpg\" sizes=\"(max-width: 600px) 100vw, 600px\" srcset=\"http:\/\/dn.cailiaoniu.com\/2016\/09\/nature19343-f3.jpg 600w, http:\/\/dn.cailiaoniu.com\/2016\/09\/nature19343-f3-300x97.jpg 300w\" alt=\"nature19343-f3\" width=\"600\" height=\"194\" \/><\/p>\n<p style=\"text-align: center;\"><strong>\u00a0\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u51fa\u7684LuFeO<sub>4<\/sub>\u7684\u81ea\u65cb\u7ed3\u679c<\/strong><\/p>\n<p>a,b,\u5355\u659c\u7ed3\u6784\u7684LuFe<sub>2<\/sub>O<sub>4<\/sub>\u7cfb\u7edf\u7684\u7ed3\u6784\u56fe\uff0cFe<sup>2+<\/sup>\uff0fFe<sup>3+<\/sup>\u4e3a\u53cd\u94c1\u7535\u72b6\u6001\uff08a\uff1a\u7a7a\u95f4\u7fa4\uff1aC2\/m\uff09\u4ee5\u53ca\u94c1\u7535\u72b6\u6001\uff08b\uff1a\u7a7a\u95f4\u7fa4\uff1aCm\uff09\u3002\u6bcf\u4e2a\u94c1\u79bb\u5b50\u7684\u9971\u548c\u78c1\u5316\u5f3a\u5ea6\u5728\u53f3\u56fe\u4e2d\u8ba1\u7b97\u51fa\u6765\uff08\u5173\u4e8e\u65f6\u95f4\u7684\u51fd\u6570\uff09\u3002\u5bf9\u4e8e\u94c1\u7535\u72b6\u6001\u7684LuFe<sub>2<\/sub>O<sub>4<\/sub>\u7684\u6e29\u5ea6\uff0d\u6bcf\u4e2a\u94c1\u79bb\u5b50\u7684\u9971\u548c\u78c1\u5316\u5f3a\u5ea6\u8ba1\u7b97\u51fa\u6765\u4f5c\u4e3aQ\u7684\u51fd\u6570\uff0c\u7ed3\u679c\u663e\u793a\u78c1\u6027\u76f8\u53d8\u6e29\u5ea6\u968f\u7740\u7ed3\u6784\u7684\u7578\u53d8\u7a0b\u5ea6\u800c\u4e0d\u65ad\u589e\u52a0\u3002<\/p>\n<p>\u6587\u732e\u94fe\u63a5\uff1a<a href=\"https:\/\/www.nature.com\/articles\/nature19343\">Atomically engineered ferroic layers yield a room- temperature magnetoelectric multiferroic<\/a><\/p>\n<p>2\uff1aNature\uff1a\u6c27\u5316\u77f3\u58a8\u70ef\u819c\u901a\u8fc7\u9633\u79bb\u5b50\u63a7\u5236\u5c42\u95f4\u8ddd\u5b9e\u73b0\u79bb\u5b50\u7b5b\u5206<\/p>\n<p>\u4e2d\u56fd\u79d1\u5b66\u9662\u4e0a\u6d77\u5e94\u7528\u7269\u7406\u7814\u7a76\u6240\u65b9\u6d77\u5e73\u3001Jingye Li\u3001\u4e0a\u6d77\u5927\u5b66\u5434\u660e\u7ea2\u56e2\u961f\u3001\u5357\u4eac\u5de5\u4e1a\u5927\u5b66\u91d1\u4e07\u52e4\u56e2\u961f\uff08\u5171\u540c\u901a\u8baf\uff09\u7b49\u4eba\u4f7f\u7528K <sup>+<\/sup>\uff0cNa<sup>+<\/sup>\uff0cCa<sup>2+<\/sup>\uff0cLi<sup>+<\/sup>\u6216Mg<sup>2+<\/sup>\u79bb\u5b50\u663e\u793a\u4e86\u5229\u7528\u9633\u79bb\u5b50\u63a7\u5236\u5c42\u95f4\u8ddd\u7cbe\u786e\u8ba2\u88c5\u6c27\u5316\u77f3\u58a8\u70ef\u819c\uff0c\u8868\u73b0\u51fa\u4f18\u5f02\u7684\u79bb\u5b50\u7b5b\u5206\u548c\u6d77\u6c34\u6de1\u5316\u6027\u80fd\u3002\u6b64\u5916\uff0c\u7531\u4e00\u79cd\u7c7b\u578b\u9633\u79bb\u5b50\u63a7\u5236\u7684\u819c\u95f4\u8ddd\u53ef\u4ee5\u6709\u6548\u5730\u9009\u62e9\u6027\u5730\u6392\u9664\u5177\u6709\u8f83\u5927\u6c34\u5408\u4f53\u79ef\u7684\u5176\u5b83\u9633\u79bb\u5b50\u3002\u8bba\u6587\u5e94\u7528\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u548c\u7d2b\u5916\u5438\u6536\u5149\u8c31\u8868\u660e\uff0c\u6700\u7a33\u5b9a\u7684\u9633\u79bb\u5b50\u5438\u9644\u4f4d\u7f6e\u662f\u6c27\u5316\u7269\u57fa\u56e2\u548c\u82b3\u73af\u5171\u5b58\u7684\u5730\u65b9\u3002\u800c\u901a\u8fc7\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u8ba1\u7b97\u8868\u660e\uff0c\u4e0eNa<sup>+<\/sup>\u76f8\u6bd4\uff0c\u5176\u4ed6\u9633\u79bb\u5b50\u5e94\u8be5\u5177\u6709\u6bd4\u77f3\u58a8\u70ef\u7247\u66f4\u5f3a\u7684\u9633\u79bb\u5b50-\u03c0\u76f8\u4e92\u4f5c\u7528\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-106162\" src=\"http:\/\/dn.cailiaoniu.com\/2017\/10\/4-26.jpg\" sizes=\"(max-width: 600px) 100vw, 600px\" srcset=\"http:\/\/dn.cailiaoniu.com\/2017\/10\/4-26.jpg 600w, http:\/\/dn.cailiaoniu.com\/2017\/10\/4-26-300x196.jpg 300w\" alt=\"\" width=\"600\" height=\"392\" \/><\/p>\n<p style=\"text-align: center;\"><strong>\u4e24\u4e2a<\/strong><strong>\u6c27\u5316<\/strong><strong>\u77f3\u58a8\u70ef\u7247\u4e4b\u95f4\u9633\u79bb\u5b50\u7684\u7406\u8bba\u8ba1\u7b97<\/strong><\/p>\n<p>\u6587\u732e\u94fe\u63a5\uff1a<a href=\"http:\/\/www.nature.com\/nature\/journal\/vaop\/ncurrent\/full\/nature24044.html?foxtrotcallback=true#corres-auth\" target=\"_blank\" rel=\"noopener\">Ion sieving in graphene oxide membranes via cationic control of interlayer spacing<\/a><\/p>\n<p>3\uff1aNature:\u94c1\u7535\u6750\u6599\u6027\u80fd\u7684\u9884\u6d4b\u4e0e\u4f18\u5316\u2014\u2014\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u672c\u5f81\u94c1\u7535\u7ffb\u8f6c<\/p>\n<p>\u94c1\u7535\u6750\u6599\u662f\u4e00\u79cd\u5b58\u5728\u81ea\u53d1\u6781\u5316\u7684\u6750\u6599\uff0c\u4e14\u81ea\u53d1\u6781\u5316\u6709\u4e24\u4e2a\u6216\u591a\u4e2a\u53ef\u80fd\u7684\u53d6\u5411\uff0c\u5728\u7535\u573a\u4f5c\u7528\u4e0b\uff0c\u5176\u53d6\u5411\u53ef\u4ee5\u6539\u53d8\u3002\u5b83\u5177\u6709\u4ecb\u7535\u3001\u538b\u7535\u3001\u70ed\u91ca\u7535\u3001\u94c1\u7535\u4ee5\u53ca\u7535\u5149\u6548\u5e94\u3001\u58f0\u5149\u6548\u5e94\u3001\u5149\u6298\u53d8\u6548\u5e94\u548c\u975e\u7ebf\u6027\u5149\u5b66\u6548\u5e94\u7b49\u91cd\u8981\u7279\u6027\u3002\u94c1\u7535\u4f53\u6982\u62ec\u8d77\u6765\u53ef\u4ee5\u5206\u6210\u4e24\u5927\u7c7b\uff0c\u4e00\u7c7b\u4ee5KH<sub>2<\/sub>PO<sub>4<\/sub>\u4e3a\u4ee3\u8868\uff0c\u5177\u6709\u6c22\u952e\uff0c\u4ece\u987a\u7535\u76f8\u8fc7\u6e21\u5230\u94c1\u7535\u76f8\u662f\u65e0\u5e8f\u5230\u6709\u5e8f\u7684\u76f8\u53d8\uff0c\u5c5e\u6709\u5e8f\u65e0\u5e8f\u578b\u3002\u53e6\u4e00\u7c7b\u4e3a\u4f4d\u79fb\u578b\u94c1\u7535\u4f53\uff0c\u4ee5BaTiO<sub>3<\/sub>\u4e3a\u4ee3\u8868\uff0c\u4ece\u987a\u7535\u76f8\u5230\u94c1\u7535\u76f8\u8f6c\u53d8\u662f\u7531\u5176\u4e2d\u4e24\u4e2a\u5b50\u6676\u683c\u53d1\u751f\u76f8\u5bf9\u4f4d\u79fb\u3002<\/p>\n<p>\u5361\u5185\u57fa\u7814\u7a76\u6240\u7684Shi Liu\u4e0e\u5bbe\u5915\u6cd5\u5c3c\u4e9a\u5927\u5b66\u7684Ilya Grinberg \u548cAndrew M. Rappe\u5229\u7528\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u94c1\u7535\u6750\u6599PbTiO<sub>3<\/sub>\u768490\u00ba\u7574\u58c1\u6765\u63d0\u4f9b\u4e00\u4e2a\u5fae\u89c2\u56fe\u666f\uff0c\u4f7f\u5f97\u80fd\u6784\u5efa\u4e00\u4e2a\u53ef\u4ee5\u91cf\u5316\u5728\u5404\u79cd\u94c1\u7535\u4f53\u4e2d\u5404\u7c7b\u7574\u58c1\u7684\u52a8\u529b\u5b66\u7684\u7b80\u5355\u3001\u666e\u9002\u3001\u5f62\u6838\u4e0e\u751f\u957f\u4e3a\u57fa\u7840\u7684\u5206\u6790\u6a21\u578b\u3002\u7136\u540e\u9884\u6d4b\u4e86\u5728\u6709\u9650\u6e29\u5ea6\u4e0b\u7535\u6ede\u56de\u7ebf\u4e0e\u77eb\u987d\u573a\u7684\u6e29\u5ea6\u548c\u9891\u7387\u5173\u7cfb\u3002\u6b64\u6a21\u578b\u80fd\u591f\u5b9a\u91cf\u6d4b\u5b9a\u77eb\u987d\u573a\uff0c\u4e0e\u9676\u74f7\u548c\u8584\u819c\u4e2d\u7684\u5b9e\u9a8c\u7ed3\u679c\u7b26\u5408\u5f88\u597d\u3002<\/p>\n<p>\u4ece\u57fa\u4e8e\u91cf\u5b50\u529b\u5b66\u7684\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u5f00\u59cb\uff0c\u63d0\u4f9b\u94c1\u7535\u6750\u6599\u7684\u7ed3\u6784\u4e0e\u80fd\u91cf\u6a21\u578b\u7684\u5173\u952e\u4fe1\u606f\u3002\u5229\u7528\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u7684\u7ed3\u679c\uff0c\u5efa\u7acb\u539f\u5b50\u95f4\u76f8\u4e92\u4f5c\u7528\u52bf\u6a21\u578b\uff0c\u8fd9\u4e2a\u6a21\u578b\u53ef\u4ee5\u7814\u7a76\u5927\u7684\u7cfb\u7edf\uff0c\u8fbe\u5230845000\u4e2a\u539f\u5b50\uff0c\u7528\u6765\u63a2\u7d22\u5728\u6709\u9650\u6e29\u5ea6\u4e0b\u7535\u573a\u9a71\u52a8\u7574\u58c1\u7684\u8fd0\u52a8\u3002\u5229\u7528\u5927\u89c4\u6a21\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u5728\u4e00\u4e2a\u5927\u7684\u6e29\u5ea6\u8303\u56f4\u5185\u5b9a\u91cf\u4f30\u7b97\u51fa\u65e0\u7f3a\u9677PbTiO<sub>3<\/sub>\u7684\u4e00\u4e2a90\u00ba\u7574\u58c1\u7684\u901f\u5ea6\u3002\u5229\u7528\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u53ef\u4ee5\u4f7f\u5206\u6790\u6a21\u578b\u6709\u6548\u7684\u5feb\u901f\u4f30\u7b97\u51fa\u7535\u6ede\u56de\u7ebf\u4e0e\u77eb\u987d\u573a\u3002<\/p>\n<p>\u8bba\u6587\u7684\u5de5\u4f5c\u8868\u660e\uff0c\u5728\u6709\u9650\u6e29\u5ea6\u4e0b\u4ece\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u51fa\u7684\u96f6\u6e29\u5fae\u89c2\u91cf\u4e0e\u5b8f\u89c2\u73b0\u8c61\u7684\u63cf\u8ff0\u662f\u76f8\u5173\u7684\uff0c\u63d0\u4f9b\u4e86\u4e00\u4e2a\u5177\u4f53\u7684\u8fc7\u7a0b\u6765\u4ece\u5fae\u89c2\u91cf\u76f4\u63a5\u5feb\u901f\u8ba1\u7b97\u51fa\u5b8f\u89c2\u91cf\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-23155 size-full\" src=\"http:\/\/dn.cailiaoniu.com\/2016\/06\/3-13.png\" sizes=\"(max-width: 1032px) 100vw, 1032px\" srcset=\"http:\/\/dn.cailiaoniu.com\/2016\/06\/3-13.png 1032w, http:\/\/dn.cailiaoniu.com\/2016\/06\/3-13-300x156.png 300w, http:\/\/dn.cailiaoniu.com\/2016\/06\/3-13-768x399.png 768w, http:\/\/dn.cailiaoniu.com\/2016\/06\/3-13-1024x532.png 1024w\" alt=\"3\" width=\"1032\" height=\"536\" \/><\/p>\n<p style=\"text-align: center;\"><strong>\u5229\u7528\u7b2c\u4e00\u6027\u539f\u7406\u6a21\u62df\u7684\u51e0\u79cd\u6750\u6599\u7684\u7535\u6ede\u56de\u7ebf\u4e0e\u77eb\u987d\u573a<\/strong><\/p>\n<p>\u6587\u732e\u94fe\u63a5\uff1a<a href=\"https:\/\/www.nature.com\/articles\/nature18286\">Intrinsic ferroelectric switching from first principles<\/a><\/p>\n<p>4\uff1aNature\uff1a\u5728\u5355\u539f\u5b50\u6c34\u5e73\u4e0a\u89e3\u5bc6\u5316\u5b66\u6709\u5e8f\/\u65e0\u5e8f\u6001\u540c\u6750\u6599\u6027\u8d28\u7684\u5173\u7cfb<\/p>\n<p>\u5b8c\u7f8e\u7684\u6676\u4f53\u5728\u81ea\u7136\u754c\u662f\u4e0d\u5b58\u5728\u7684\u3002\u73b0\u5b9e\u4e2d\u7684\u6750\u6599\u5f80\u5f80\u5b58\u5728\u7f3a\u9677\uff0c\u548c\u5316\u5b66\u6709\u5e8f\/\u65e0\u5e8f\u6001\uff0c\u4f8b\u5982\u6676\u754c\uff0c\u4f4d\u9519\uff0c\u754c\u9762\uff0c\u8868\u9762\u91cd\u6784\u4ee5\u53ca\u70b9\u7f3a\u9677\u3002\u8fd9\u4e9b\u7f3a\u9677\u4e25\u91cd\u5f71\u54cd\u7740\u6750\u6599\u7684\u6027\u8d28\u548c\u529f\u80fd\u3002\u5c3d\u7ba1\u6750\u6599\u7684\u5b9a\u91cf\u8868\u5f81\u65b9\u6cd5\u88ab\u5feb\u901f\u5efa\u7acb\uff0c\u4f46\u7cbe\u786e\u5904\u7406\u6709\u5e8f\/\u65e0\u5e8f\u6392\u5217\u7684\u4e09\u7ef4\uff083D\uff09\u539f\u5b50\u548c\u6676\u4f53\u7f3a\u9677\u5bf9\u6750\u6599\u6027\u8d28\u7684\u5f71\u54cd\u4ecd\u662f\u4e00\u5927\u6311\u6218\u3002\u4e0e\u6b64\u540c\u65f6\uff0c\u91cf\u5b50\u529b\u5b66\u8ba1\u7b97\u65b9\u6cd5\uff0c\u5982\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u5df2\u7ecf\u4ece\u5f00\u59cb\u7684\u7406\u60f3\u5757\u6750\u6a21\u578b\u5904\u7406\u7cfb\u7edf\u53d1\u5c55\u4e3a\u4e86\u5177\u6709\u63ba\u6742\u3001\u4f4d\u9519\u3001\u6676\u754c\u548c\u754c\u9762\u7684\u771f\u5b9e\u6750\u6599\u6a21\u578b\u5904\u7406\u7cfb\u7edf\uff0c\u4f46\u662f\u8fd9\u4e9b\u8ba1\u7b97\u65b9\u6cd5\u91cd\u5ea6\u4f9d\u8d56\u5e73\u5747\u539f\u5b50\u6a21\u578b\u6676\u4f53\u5b66\u3002\u4e3a\u4e86\u63d0\u9ad8\u7b2c\u4e00\u539f\u7406\u8ba1\u7b97\u7684\u9884\u6d4b\u80fd\u529b\uff0c\u6709\u5fc5\u8981\u5728\u4e00\u822c\u6676\u4f53\u5b66\u6d4b\u91cf\u7684\u771f\u5b9e\u7cfb\u7edf\u4e4b\u5916\u4f7f\u7528\u539f\u5b50\u5750\u6807\u3002<\/p>\n<p><strong>\u52a0\u5229\u798f\u5c3c\u4e9a\u5927\u5b66\u7eb3\u7c73\u7cfb\u7edf\u7814\u7a76\u6240\u7684<\/strong><strong>Jianwei Miao<\/strong><strong>\u6559\u6388\uff08\u901a\u8baf\u4f5c\u8005\uff09<\/strong>\u56e2\u961f\u8fd1\u65e5\u786e\u5b9a\u4e86\u4e00\u4e2a\u75316569\u4e2a\u94c1\u539f\u5b50\u548c16627\u4e2a\u94c2\u539f\u5b50\u7ec4\u6210\u7684\u94c1-\u94c2\u7eb3\u7c73\u9897\u7c92\u5404\u4e2a\u539f\u5b50\u7684\u4e09\u7ef4\u5750\u6807\uff0c\u5e76\u4e14\u5728\u539f\u5b50\u6c34\u5e73\u4e0a\u7cbe\u786e\u6d4b\u91cf\u4e86\u5b83\u7684\u5316\u5b66\u6709\u5e8f\/\u65e0\u5e8f\u6001\u548c\u6676\u4f53\u7f3a\u9677\u5bf9\u6750\u6599\u6027\u8d28\u7684\u5f71\u54cd\u3002\u524d\u6240\u672a\u6709\u5730\u662f\uff0c\u8be5\u56e2\u961f\u8fd8\u8fa8\u522b\u51fa\u4e86\u6750\u6599\u4e30\u5bcc\u7684\u4e09\u7ef4\u7ed3\u6784\u7ec6\u8282\uff0c\u5305\u62ec\u5176\u4e2d\u7684\u539f\u5b50\u6210\u5206\u3001\u751f\u957f\u6676\u754c\u3001\u53cd\u76f8\u6676\u754c\u3001\u53cd\u4f4d\u70b9\u7f3a\u9677\u548c\u4ea4\u6362\u7f3a\u9677\u3002\u8be5\u56e2\u961f\u7814\u7a76\u8868\u660e\uff0c\u901a\u8fc7\u76f4\u63a5\u8f93\u5165DFT\u8ba1\u7b97\u4e2d\u6750\u6599\u7684\u6027\u8d28\uff08\u5982\u539f\u5b50\u81ea\u65cb\u3001\u8f68\u9053\u78c1\u77e9\u4ee5\u53ca\u5c40\u90e8\u78c1\u6676\u5404\u5411\u5f02\u6027\uff09\u53ef\u4ee5\u5b9e\u73b0\u572822\u76ae\u79d2\u7cbe\u5ea6\u4e0b\u6d4b\u5b9a\u6750\u6599\u4e2d\u7684\u539f\u5b50\u5750\u6807\u548c\u5316\u5b66\u6210\u5206\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"size-full wp-image-64281 aligncenter\" src=\"http:\/\/dn.cailiaoniu.com\/2017\/02\/04_%E7%9C%8B%E5%9B%BE%E7%8E%8B.jpg\" sizes=\"(max-width: 600px) 100vw, 600px\" srcset=\"http:\/\/dn.cailiaoniu.com\/2017\/02\/04_\u770b\u56fe\u738b.jpg 600w, http:\/\/dn.cailiaoniu.com\/2017\/02\/04_\u770b\u56fe\u738b-227x300.jpg 227w\" alt=\"\" width=\"600\" height=\"792\" \/><\/p>\n<p><strong>\u91c7\u7528\u539f\u5b50\u5750\u6807\u548c\u5316\u5b66\u6210\u5206\u76f4\u63a5\u8f93\u5165\u7684<\/strong><strong>DFT<\/strong><strong>\u6cd5\u83b7\u5f97\u7684<\/strong><strong>[100]<\/strong><strong>\u548c<\/strong><strong>[001]<\/strong><strong>\u65b9\u5411\u4e4b\u95f4\u7684\u5c40\u57df\u78c1\u6676\u5404\u5411\u5f02\u6027\u80fd\uff08<\/strong><strong>MAE<\/strong><strong>\uff09\u4fe1\u606f<\/strong><\/p>\n<p>\u6587\u732e\u94fe\u63a5\uff1a<a href=\"https:\/\/www.nature.com\/articles\/nature21042\" target=\"_blank\" rel=\"noopener\">Deciphering chemical order\/disorder and material properties at the single-atom level<\/a><\/p>\n<p>5\uff1aNature:\u590d\u5408\u65e0\u673a\u7269\u76f8\u573a\u7684\u4e24\u79cd\u6676\u4f53\u7ed3\u6784\u7c7b\u578b\u7684\u52a0\u901f\u53d1\u73b0<\/p>\n<p>\u53d7\u9650\u4e8e\u6750\u6599\u65e2\u6709\u5927\u91cf\u53ef\u80fd\u7684\u5143\u7d20\u7ec4\u6210\uff0c\u4e5f\u6709\u5e9e\u5927\u7684\u6f5c\u5728\u7ed3\u6784\uff0c\u6240\u4ee5\u63a2\u7d22\u7814\u53d1\u65b0\u6750\u6599\u4e00\u76f4\u6ca1\u6709\u4e00\u4e2a\u5f88\u597d\u7684\u529e\u6cd5\u3002\u4f8b\u5982\uff0c\u65e0\u673a\u7ed3\u6784\u62d3\u5c55\u5230\u56fa\u76f8\u7ed3\u6784\u7684\u7814\u7a76\u53d1\u73b0\u5927\u90e8\u5206\u90fd\u662f\u4f9d\u8d56\u4e8e\u6676\u4f53\u5316\u5b66\u4ee5\u53ca\u8017\u8d39\u5927\u91cf\u65f6\u95f4\u7684\u7cfb\u7edf\u6539\u53d8\u5143\u7d20\u6bd4\u503c\u7684\u6750\u6599\u5408\u6210\u3002\u3002\u8ba1\u7b97\u65b9\u6cd5\u5df2\u7ecf\u53d1\u5c55\u5230\u901a\u8fc7\u7cbe\u786e\u6210\u5206\u9884\u6d4b\u7ed3\u6784\u548c\u5df2\u77e5\u6676\u4f53\u7ed3\u6784\u9884\u6d4b\u6210\u5206\u6765\u6307\u5bfc\u6750\u6599\u5408\u6210\uff0c\uff0c\u5e76\u5df2\u7ecf\u53d6\u5f97\u4e86\u5de8\u5927\u8fdb\u6b65\u3002\u7136\u800c\u8981\u5f97\u5230\u4e00\u4e2a\u5168\u65b0\u3001\u5b9e\u9a8c\u4e0a\u53ef\u5b9e\u73b0\u7684\u7269\u8d28\uff0c\u5176\u5305\u62ec\u6676\u80de\u548c\u539f\u5b50\u4f4d\u7f6e\u5728\u5185\u7684\u6676\u4f53\u7ed3\u6784\u8fe5\u5f02\u4e8e\u5df2\u77e5\u6676\u4f53\u7ed3\u6784\uff0c\u4ecd\u7136\u662f\u4e00\u4e2a\u5de8\u5927\u7684\u6311\u6218\u3002\u5f88\u591a\u6709\u4ef7\u503c\u7684\u6027\u80fd\u5f97\u76ca\u4e8e\u5bf9\u5df2\u77e5\u7ed3\u6784\u7684\u66ff\u6362\u3002\u4f46\u4ec5\u4ec5\u4f7f\u7528\u8fd9\u79cd\u65b9\u6cd5\u5c06\u5e26\u6765\u9519\u8fc7\u6700\u4f18\u6027\u80fd\u89e3\u4ee5\u53ca\u8bd5\u56fe\u5229\u7528\u4e0d\u5b8c\u6574\u7684\u77e5\u8bc6\u6765\u8bbe\u8ba1\u7684\u98ce\u9669\u3002<\/p>\n<p>\u672c\u6587\u62a5\u9053\u4e86\u5b9e\u9a8c\u53d1\u73b0\u7684\u4e24\u79cd\u7ed3\u6784\uff0c\u5176\u901a\u8fc7\u5bf9\u540c\u65f6\u5305\u542b\u4e24\u79cd\u7ed3\u6784\u7684\u590d\u6742\u65e0\u673a\u76f8\u533a\u57df\u8fdb\u884c\u8ba1\u7b97\u8bc6\u522b\u5f97\u5230\u7684\u3002<\/p>\n<p>\u901a\u8fc7\u8ba1\u7b97\u63a2\u6d4b\u7ed3\u6784\u7684\u7ed3\u679c\u662f\u83b7\u5f97\u4e86\u8be5\u7cfb\u7edf\u5316\u5b66\u3001\u7ed3\u6784\u4e0a\u7684\u591a\u6837\u6027\uff0c\u5176\u80fd\u91cf\u53ef\u4ee5\u4e0e\u5df2\u77e5\u6750\u6599\u7ec4\u5408\u76f8\u5f53\u3002\u63a5\u7740\u5bf9\u76f8\u56fe\u4e2d\u6700\u4f4e\u80fd\u91cf\u533a\u57df\u8ba1\u7b97\u5f97\u5230\u4e4b\u524d\u672a\u6709\u62a5\u9053\u8fc7\u7684\u7ed3\u6784\u7684\u4e24\u79cd\u6750\u6599\u3002<\/p>\n<p>\u6587\u732e\u94fe\u63a5\uff1a<a href=\"https:\/\/www.nature.com\/articles\/nature22374\/\" target=\"_blank\" rel=\"noopener\">Accelerated discovery of two crystal structure types in a complex inorganic phase field<\/a><\/p>\n<p>6\uff1aScience Advances\uff1a\u6c34\u6eb6\u6db2\u7684\u7535\u5b50\u7ed3\u6784\uff1a\u7f29\u5c0f\u5b9e\u9a8c\u4e0e\u7406\u8bba\u4e4b\u95f4\u7684\u5dee\u8ddd<\/p>\n<p>\u9884\u6d4b\u6c34\u6eb6\u6db2\u7684\u7535\u6027\u80fd\u662f\u91cf\u5b50\u529b\u5b66\u4e00\u9879\u957f\u671f\u6df1\u8fdc\u7684\u6311\u6218\u3002\u4f46\u5728\u5927\u91cf\u65b0\u5174\u80fd\u6e90\u548c\u73af\u5883\u6280\u672f\u4e2d\uff0c\u4f8b\u5982\u7535\u6c60\u548c\u5149\u7535\u5316\u5b66\u7535\u6c60\u8bbe\u8ba1\uff0c\u5b83\u4ecd\u7136\u662f\u7406\u89e3\u548c\u9884\u6d4b\u6c34\u6eb6\u6db2\u548c\u7535\u89e3\u8d28\u6240\u627f\u62c5\u7684\u5173\u952e\u89d2\u8272\u7684\u81f3\u5173\u91cd\u8981\u7684\u4e00\u6b65\u3002\u672c\u7bc7\u63d0\u51fa\u4e86\u4e00\u4e2a\u6709\u6548\u4e14\u7cbe\u786e\u7684\u65b9\u6cd5\u6765\u9884\u6d4b\u6c34\u6eb6\u6db2\u7684\u7535\u6027\u80fd\uff0c\u5373\u57fa\u4e8e\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u65b9\u6cd5\u7ed3\u5408\u6700\u5148\u8fdb\u7684\u5149\u8c31\u5b66\u8bc4\u6d4b\u5b9e\u9a8c\u786e\u8ba4\u3002\u5f97\u5230\u5bbd\u533a\u57df\u7684\u6eb6\u89e3\u79bb\u5b50\u5149\u7535\u5b50\u8c31\uff0c\u7b2c\u4e00\u6027\u539f\u7406\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u548c\u5229\u7528\u4ecb\u8d28\u6df7\u5408\u6cdb\u51fd\u7684\u7535\u5b50\u7ed3\u6784\u8ba1\u7b97\u5bf9\u5305\u62ec\u6fc0\u6d3b\u80fd\u5728\u5185\u7684\u6eb6\u8d28\u548c\u6eb6\u5242\u7684\u7535\u6027\u80fd\u4ee5\u5b9a\u91cf\u63cf\u8ff0\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-121486\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2018\/01\/df.png\" alt=\"\" width=\"600\" height=\"402\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2018\/01\/df.png 600w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2018\/01\/df-300x201.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p style=\"text-align: center;\"><strong>PO<sub>4<\/sub><sup>3<\/sup><\/strong><strong><sup>\u2212<\/sup><\/strong>\u00a0\u6eb6\u6db2<strong>\u7684<\/strong><strong>PE<\/strong><strong>\u9891\u8c31\u56fe\u50cf<\/strong><\/p>\n<p>\u6587\u732e\u94fe\u63a5\uff1a<a title=\"Electronic structure of aqueous solutions: Bridging the gap between theory and experiments\" href=\"http:\/\/advances.sciencemag.org\/content\/3\/6\/e1603210\" target=\"_blank\" rel=\"noopener\">Electronic structure of aqueous solutions: Bridging the gap between theory and experiments<\/a><\/p>\n<p>\u9876\u520a\u4e2d\u7b2c\u4e00\u6027\u539f\u7406\u7684\u5e94\u7528\u8fdc\u4e0d\u6b62\u8fd9\u4e9b\uff0c\u672c\u7bc7\u4ec5\u4e3a\u629b\u7816\u5f15\u7528\u3002\u5982\u679c\u60a8\u5bf9\u7b2c\u4e00\u6027\u539f\u7406\u5728\u6750\u6599\u79d1\u5b66\u4e0a\u7684\u5e94\u7528\u6709\u89c1\u89e3\uff0c\u6b22\u8fce\u60a8\u8054\u7cfb\u6750\u6599\u4eba\u7f16\u8f91\uff08\u5fae\u4fe1\u53f7\uff1acailiaokefu\uff09\u6295\u7a3f\u3002<\/p>\n<p>\u5c01\u9762\u56fe\u7247\u4e0e\u672c\u6587\u65e0\u5173\u3002<\/p>\n<p>\u6750\u6599\u4eba\u7f16\u8f91\u90e8Vera\u3001\u94a2\u94c1\u4fa0\u8054\u5408\u6574\u7406\u3002<\/p>\n<p>\u6750\u6599\u4eba\u91cd\u78c5\u63a8\u51fa\u6750\u6599\u8ba1\u7b97\u89e3\u51b3\u65b9\u6848\uff0c\u7ec4\u5efa\u4e86\u4e00\u652f\u6765\u81ea\u5168\u56fd\u77e5\u540d\u9ad8\u6821\u8001\u5e08\u53ca\u4f01\u4e1a\u5de5\u7a0b\u5e08\u7684\u79d1\u6280\u987e\u95ee\u56e2\u961f\uff0c\u4e13\u6ce8\u4e8e\u4e3a\u5927\u5bb6\u89e3\u51b3\u5404\u7c7b\u8ba1\u7b97\u6a21\u62df\u9700\u6c42\u3002\u5982\u679c\u60a8\u6709\u9700\u6c42\uff0c\u6b22\u8fce\u626b\u4ee5\u4e0b\u4e8c\u7ef4\u7801\u63d0\u4ea4\u60a8\u7684\u9700\u6c42\u3002\u6216<a href=\"http:\/\/cn.mikecrm.com\/DNfLjHq\" target=\"_blank\" rel=\"noopener\">\u70b9\u51fb\u94fe\u63a5\u63d0\u4ea4<\/a>\uff0c\u6216\u76f4\u63a5\u8054\u7cfb\u5fae\u4fe1\u5ba2\u670d\uff08\u5fae\u4fe1\u53f7\uff1aiceshigu\uff09<\/p>\n<p><a href=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2018\/01\/jisuan.png\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-139146\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2018\/01\/jisuan.png\" alt=\"\" width=\"600\" height=\"600\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2018\/01\/jisuan.png 600w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2018\/01\/jisuan-150x150.png 150w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2018\/01\/jisuan-300x300.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/a><\/p>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u8fd1\u5e74\u6765\uff0c\u6750\u6599\u3001\u5316\u5b66\u7c7b\u79d1\u7814\u8fdb\u5c55\u4e2d\uff0c\u5bf9\u7b2c\u4e00\u6027\u539f\u7406\u7684\u5e94\u7528\u5df2\u7ecf\u5c61\u89c1\u4e0d\u9c9c\u3002\u4e0b\u9762\u5c0f\u7f16\u68b3\u7406\u4e86\u90e8\u5206\u9876\u520a\u8fd1\u5e74\u6765\u7684\u7b2c\u4e00\u6027\u539f\u7406\u7684\u5e94\u7528\uff0c\u4ee5\u4f9b\u53c2\u8003\u3002 1\uff1aNature\uff1a\u5eb7\u5948\u5c14\u5927\u5b66-\u901a\u8fc7\u539f&#8230;<\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[4],"tags":[],"class_list":["post-121460","post","type-post","status-publish","format-standard","hentry","category-ganhuo"],"_links":{"self":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/121460"}],"collection":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=121460"}],"version-history":[{"count":16,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/121460\/revisions"}],"predecessor-version":[{"id":139158,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/121460\/revisions\/139158"}],"wp:attachment":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=121460"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=121460"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=121460"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}