{"id":156816,"date":"2019-06-01T06:14:25","date_gmt":"2019-05-31T22:14:25","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=156816"},"modified":"2019-07-14T20:16:57","modified_gmt":"2019-07-14T12:16:57","slug":"%e5%9f%ba%e7%a1%80%e8%a7%86%e9%a2%91%e7%ba%bf%e4%b8%8a%e5%b0%8f%e7%8f%ad%e4%b8%93%e9%a2%98%e7%a0%94%e8%ae%a8-%e7%94%b5%e6%b1%a0%e6%9d%90%e6%96%99%e8%ae%a1%e7%ae%97%e7%ba%bf%e4%b8%8a%e8%ae%ad","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=156816","title":{"rendered":"\u7535\u5316\u5b66\u8ba1\u7b97\u7cfb\u5217\u4e4b\u7535\u6c60\u6750\u6599\u8ba1\u7b97\u7b54\u7591\u8bfe\u5373\u5c06\u5f00\u8bb2"},"content":{"rendered":"

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\u7b54\u7591\u8bfe<\/strong><\/p>\n

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\u7ebf\u4e0a\u5c0f\u73ed\u8bfe\u7a0b\u76ee\u5f55<\/strong><\/p>\n

\u8bfe\u65f6\u4e00\uff1aVASP<\/span>\u8ba1\u7b97\u8f85\u52a9\u5de5\u5177\u53ca\u5176\u5728\u5404\u7c7b\u7535\u6c60\u8ba1\u7b97\u4e2d\u7684\u5e94\u7528\u3002<\/span><\/p>\n

1.\u00a0 <\/span><\/span>Cygwin<\/span>\u4f7f\u7528\u4e0eLinux<\/span>\u73af\u5883\u642d\u5efa<\/span><\/p>\n

2.\u00a0 <\/span><\/span>\u6d41\u5904\u7406\u53ca\u6d41\u7f16\u8f91\u5de5\u5177\u9ad8\u6548\u5904\u7406\u8f93\u5165\u8f93\u51fa\u6587\u4ef6<\/span><\/p>\n

3.\u00a0 <\/span><\/span>VASP<\/span>\u7535\u6c60\u8ba1\u7b97\u5e94\u7528\u6982\u8ff0<\/span><\/p>\n

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1.\u00a0 <\/span><\/span>\u70b9\u7f3a\u9677\uff0c\u7ebf\u7f3a\u9677\uff0c\u624b\u578b\u7f3a\u9677\u5efa\u6a21\u4e0e\u8ba1\u7b97\u3002<\/span><\/p>\n

2.\u00a0 <\/span><\/span>\u5b9e\u4f8b1<\/span>\uff1a\u77f3\u58a8\u70ef\u7f3a\u9677\u8ba1\u7b97\u3002<\/span><\/p>\n

3.\u00a0 <\/span><\/span>\u8868\u9762\uff0c\u754c\u9762\u5efa\u6a21\u4e0e\u8ba1\u7b97\u3002<\/span><\/p>\n

4.\u00a0 <\/span><\/span>\u5b9e\u4f8b2<\/span>\uff1aNa<\/span>\u91d1\u5c5e\u7684\u8868\u9762\u80fd\u4e0eNa\/<\/span>\u77f3\u58a8\u70ef\u754c\u9762\u80fd\u5efa\u6a21\u5206\u6790<\/span><\/p>\n

\u8bfe\u65f6\u4e09\uff1a\u76f8\u56fe\u8ba1\u7b97\u4e0e\u6784\u5efa\u3002<\/span><\/p>\n

1.\u00a0 <\/span><\/span>\u7f3a\u9677\u5f62\u6210\u76f8\u56fe\u3002<\/span><\/p>\n

2.\u00a0 <\/span><\/span>\u5b9e\u4f8b3<\/span>\uff1aMoS2<\/sub><\/span>\u4e2d\u7684\u7f3a\u9677\u5f62\u6210\u76f8\u56fe\u3002<\/span><\/p>\n

3.\u00a0 <\/span><\/span>\u6750\u6599\u7a33\u5b9a\u6027\u76f8\u56fe\u3002<\/span><\/p>\n

4.\u00a0 <\/span><\/span>\u5b9e\u4f8b4<\/span>\uff1aCuInSe2<\/span>\u7684\u76f8\u7a33\u5b9a\u6027\u5206\u6790\u3002<\/span><\/p>\n

\u8bfe\u65f6\u56db\uff1a \u7535\u6c60\u6750\u6599\u7684\u52a8\u529b\u5b66\u5206\u6790 \u3002<\/span><\/p>\n

1.\u00a0 <\/span><\/span>\u8fc7\u6e21\u6001\u8ba1\u7b97\u4e0eci-NEB<\/span>\u3002<\/span><\/p>\n

2.\u00a0 <\/span><\/span>\u6269\u6563\u7cfb\u6570\u4e0e\u79bb\u5b50\u7535\u5bfc\u3002<\/span><\/p>\n

3.\u00a0 <\/span><\/span>\u5b9e\u4f8b1<\/span>\uff1aCo3<\/sub>O4<\/sub><\/span>\u8868\u9762\u7684H<\/span>\u539f\u5b50\u6269\u6563\u52bf\u5792\uff08\u8868\u9762\u6269\u6563\uff09\u3002<\/span><\/p>\n

4.\u00a0 <\/span><\/span>\u5b9e\u4f8b2<\/span>\uff1aSrTiO3<\/sub><\/span>\u6c27\u79bb\u5b50\u8fc1\u79fb\u7387\u4e0e\u79bb\u5b50\u7535\u5bfc\u9884\u6d4b\u3002 <\/span><\/p>\n

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1.\u00a0 <\/span><\/span>\u6210\u952e\u4e0e\u7535\u8377\u8f6c\u79fb\u5206\u6790\u3002<\/span><\/p>\n

2.\u00a0 <\/span><\/span>\u5b9e\u4f8b1<\/span>\uff1aLi2<\/sub>FeSiO4<\/sub><\/span>\u8131\u9502\u8fc7\u7a0b\u4e2d\u7684\u6210\u952e\u4e0e\u7535\u8377\u8f6c\u79fb\u5206\u6790\u3002<\/span><\/p>\n

3.\u00a0 <\/span><\/span>\u7535\u5b50\u5c40\u57df\u5316\u5206\u6790\u3002<\/span><\/p>\n

4.\u00a0 <\/span><\/span>\u5b9e\u4f8b2<\/span>\uff1a\u77f3\u58a8\u70ef\u4e2d\u63ba\u6742\u6539\u6027\u7684\u7535\u5b50\u5c40\u57df\u5316\u5206\u6790\u3002<\/span><\/p>\n

5.\u00a0 <\/span><\/span>\u7535\u5b50\u8f68\u9053\u5206\u6790\u3002<\/span><\/p>\n

6.\u00a0 <\/span><\/span>\u5b9e\u4f8b3<\/span>\uff1aFe<\/span>\u63ba\u6742SrTiO3<\/sub><\/span>\u4e2d\u7684\u7535\u5b50\u8f68\u9053\u5206\u6790\u3002<\/span>\u00a0<\/span><\/span><\/p>\n

\u4e13\u9898\u7814\u8ba8\uff1a<\/span><\/p>\n

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\u4e13\u9898\u4e09\uff1aAIMD<\/span>\u79bb\u5b50\u7535\u5bfc\u8ba1\u7b97\u3002<\/span><\/p>\n

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\u53c2\u4e0e\u65b9\u5f0f<\/strong><\/p>\n

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\"\"<\/p>\n

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\u4e0a\u8bfe\u5e08\u8d44<\/strong><\/p>\n

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\u4e0a\u8bfe\u5e73\u53f0<\/strong><\/p>\n

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\u8d39\u7528\u53ca\u53d1\u7968<\/strong><\/p>\n

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

\u6216\u8005\u8fdb\u5165\uff1ahttp:\/\/app.cailiaoren.com\/<\/a><\/p>\n

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