{"id":186059,"date":"2019-09-22T06:30:20","date_gmt":"2019-09-21T22:30:20","guid":{"rendered":"\/\/m.iemloyee.com\/?p=186059"},"modified":"2019-09-21T19:59:47","modified_gmt":"2019-09-21T11:59:47","slug":"%e3%80%90%e6%8a%95%e7%a8%bf%e3%80%91%e7%a6%8f%e5%bb%ba%e5%b8%88%e8%8c%83%e5%8d%8e%e4%b8%ad%e7%a7%91%e6%8a%80j-phys-chem-lett-%ef%bc%9a%e5%9b%9b%e9%87%8d%e9%92%99%e9%92%9b%e7%9f%bf","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=186059","title":{"rendered":"\u798f\u5efa\u5e08\u8303&\u534e\u4e2d\u79d1\u6280J. Phys. Chem. Lett.\uff1a\u56db\u91cd\u9499\u949b\u77ff\u2014\u5149\u7535\u6750\u6599\u63a2\u7d22\u7684\u65b0\u5e73\u53f0"},"content":{"rendered":"
\u3010<\/b><\/strong>\u5f15\u8a00<\/b><\/strong>\u3011<\/b><\/strong><\/p>\n \u5364\u5316\u94c5\u9499\u949b\u77ffAPbX3<\/sub>\u662f\u8fd1\u5e74\u6765\u8fc5\u731b\u53d1\u5c55\u7684\u4e00\u79cd\u5149\u7535\u5b50\u6750\u6599\uff0c\u5df2\u88ab\u5e7f\u6cdb\u7528\u4e8e\u5149\u4f0f\u5668\u4ef6\u3001\u53d1\u5149\u4e8c\u6781\u7ba1\u3001\u4ee5\u53caX\u5c04\u7ebf\u63a2\u6d4b\u5668\u7b49\u3002\u7406\u8bba\u7814\u7a76\u8868\u660e\uff0c\u5364\u5316\u94c5\u9499\u949b\u77ff\u4f18\u5f02\u7684\u5149\u7535\u6027\u80fd\u4e3b\u8981\u662f\u6765\u6e90\u4e8e\u5176\u9ad8\u7684\u6676\u4f53\u5bf9\u79f0\u6027\u3001\u4e09\u7ef4\u7684\u7535\u5b50\u7ef4\u5ea6\u548c\u72ec\u7279\u7684Pb 6s2<\/sup>6p0 <\/sup>\u7535\u5b50\u6784\u578b\u3002\u7136\u800c\uff0c\u7531\u4e8e\u5364\u5316\u94c5\u9499\u949b\u77ff\u7684\u4e0d\u7a33\u5b9a\u6027\u4ee5\u53ca\u94c5\u7684\u6bd2\u6027\u95ee\u9898\uff0c\u4eba\u4eec\u5bf9\u63a2\u7d22\u65e0\u94c5\u9499\u949b\u77ff\u6709\u7740\u6781\u5927\u7684\u5174\u8da3\u3002\u5f53\u7528\u548c\u94c5\u540c\u4e00\u4e3b\u65cf\uff08IVA\uff09\u7684\u91d1\u5c5e\u9633\u79bb\u5b50\uff08\u4f8b\u5982SnII<\/sup>\u548cGeII<\/sup>\uff09\u53d6\u4ee3PbII<\/sup>\u65f6\uff0c\u867d\u7136\u4e0d\u4f1a\u7834\u574f\u9499\u949b\u77ff\u7684\u4e09\u7ef4\u7ed3\u6784\u5e76\u4fdd\u7559\u90e8\u5206\u5149\u7535\u7279\u6027\uff0c\u4f46\u4f1a\u5bfc\u81f4\u66f4\u4e3a\u4e25\u91cd\u7684\u6750\u6599\u7a33\u5b9a\u6027\u95ee\u9898\u3002\u53e6\u5916\u4e5f\u53ef\u4ee5\u901a\u8fc7\u7b2c\u4e94\uff08VA\uff09\u4e3b\u65cf\u7684\u91d1\u5c5e\u9633\u79bb\u5b50\uff08\u4f8b\u5982BiIII<\/sup>\u548cSbIII<\/sup>\uff09\u5f02\u4ef7\u53d6\u4ee3PbII<\/sup>\uff0c\u4f1a\u5f97\u5230\u7a33\u5b9a\u6027\u6709\u6240\u63d0\u9ad8\u7684A3<\/sub>B2<\/sub>X9<\/sub>\u7c7b\u578b\u9499\u949b\u77ff\uff0c\u4f46\u7531\u4e8e\u5b83\u4eec\u7684\u6676\u4f53\u7ed3\u6784\u548c\u7535\u5b50\u7ed3\u6784\u7684\u4f4e\u7ef4\u6027\uff0c\u5bfc\u81f4\u5176\u5149\u7535\u6027\u80fd\u4e0d\u751a\u7406\u60f3\u3002\u53d7\u9650\u4e8eGoldschmidt\u5bb9\u5fcd\u56e0\u5b50\u548c\u7535\u8377\u4e2d\u6027\u7684\u521a\u6027\u9650\u5236\uff0c\u5364\u5316\u7269\u9499\u949b\u77ff\u4e2d\u65b0\u7684\u4e09\u7ef4\u7ed3\u6784\u7c7b\u578b\u62a5\u9053\u8f83\u5c11\u3002\u56e0\u6b64\uff0c\u9664\u4e86\u4e09\u7ef4\u7b80\u5355\u9499\u949b\u77ff\u4ee5\u5916\uff0c\u901a\u8fc7\u7528\u4e00\u4e2aBI<\/sup>\u548c\u4e00\u4e2aBIII<\/sup>\u4ee3\u66ffABII<\/sup>X3<\/sub>\u4e2d\u7684\u4e24\u4e2aBII<\/sup>\u5f97\u5230\u7684A2<\/sub>BI<\/sup>BIII<\/sup>X6<\/sub>\u7c7b\u578b\u7684\u4e09\u7ef4\u53cc\u91cd\u9499\u949b\u77ff\uff0c\u4e5f\u5f15\u8d77\u4e86\u4eba\u4eec\u6781\u5927\u7684\u5173\u6ce8\u3002\u7531\u4e8eBI<\/sup>\u548cBIII<\/sup>\u7684\u7ec4\u5408\u5177\u6709\u5f88\u5e7f\u6cdb\u7684\u81ea\u7531\u5ea6\uff0c\u5f53\u524d\u4eba\u4eec\u5df2\u7ecf\u5408\u6210\u4e86\u8d85\u8fc7200\u79cd\u5364\u5316\u7269\u53cc\u91cd\u9499\u949b\u77ff\uff0c\u8fd9\u4e9b\u9499\u949b\u77ff\u5177\u5907\u5404\u79cd\u5404\u6837\u7684\u7269\u7406\u6027\u80fd\uff0c\u5728\u767d\u5149\u53d1\u5c04\u548c\u5149\u7535\u63a2\u6d4b\u5668\u7b49\u65b9\u9762\uff0c\u4e00\u4e9b\u53cc\u91cd\u5364\u5316\u7269\u9499\u949b\u77ff\u5df2\u7ecf\u663e\u793a\u51fa\u5f88\u5927\u7684\u5e94\u7528\u6f5c\u529b\u3002\u6b64\u5916\uff0c\u5728\u6750\u6599\u7ec4\u5206\u5de5\u7a0b\u4e2dA2<\/sub>BI<\/sup>BIII<\/sup>X6<\/sub>\u7c7b\u578b\u7684\u53cc\u91cd\u9499\u949b\u77ff\u6bd4ABII<\/sup>X3<\/sub>\u7c7b\u578b\u7684\u7b80\u5355\u9499\u949b\u77ff\u62e5\u6709\u66f4\u591a\u53ef\u8c03\u7684\u6676\u683c\u4f4d\u70b9\uff08A2<\/sub>BI<\/sup>BIII<\/sup>X6<\/sub>\u4e2d\u7684\u56db\u4e2a\u5bf9\u6bd4\u4e8eABII<\/sup>X3<\/sub>\u4e2d\u7684\u4e09\u4e2a\uff09\uff0c\u53ef\u4e3a\u5176\u6784\u6548\u5173\u7cfb\u8c03\u8282\u63d0\u4f9b\u66f4\u591a\u6709\u6548\u7684\u9014\u5f84\u3002\u56e0\u6b64\u65e0\u94c5\u53cc\u91cd\u9499\u949b\u77ff\u5728\u6750\u6599\u9886\u57df\u83b7\u5f97\u4e86\u84ec\u52c3\u7684\u53d1\u5c55\u3002\u57fa\u4e8e\u4e0a\u8ff0\u7814\u7a76\u80cc\u666f\uff0c\u6211\u4eec\u5728\u53cc\u91cd\u9499\u949b\u77ff\u7684\u57fa\u7840\u4e0a\u63d0\u51fa\u4e00\u79cd\u65b0\u7684\u9499\u949b\u77ff\u4e09\u7ef4\u7ed3\u6784\u7c7b\u578b\uff0c\u5373\u56db\u91cd\u9499\u949b\u77ff\uff0c\u8fd9\u5c06\u4e3a\u5149\u7535\u6750\u6599\u7684\u8bbe\u8ba1\u63d0\u4f9b\u66f4\u591a\u6837\u7684\u9009\u62e9\u3002<\/p>\n \u3010<\/b><\/strong>\u6210\u679c\u7b80\u4ecb<\/b><\/strong>\u3011<\/b><\/strong><\/p>\n \u6700\u8fd1\uff0c\u798f\u5efa\u5e08\u8303\u5927\u5b66\u675c\u514b\u948a(Ke-Zhao Du)\u6559\u6388(\u901a\u8baf\u4f5c\u8005)<\/b><\/strong>\u3001\u534e\u4e2d\u79d1\u6280\u5927\u5b66\u8096\u6cfd\u6587(Zewen Xiao)\u6559\u6388(\u901a\u8baf\u4f5c\u8005)<\/b><\/strong>\u8054\u5408\u5728 The Journal of Physical Chemistry Letters <\/b><\/strong>\u4e0a\u53d1\u8868\u4e86\u4e00\u7bc7\u540d\u4e3a\u201cMaterial Design and Optoelectronic Properties of Three-Dimensional Quadruple Perovskite Halides<\/b><\/strong>\u201d\u7684\u7814\u7a76\u6587\u7ae0\u3002\u5728\u8fd9\u7bc7\u6587\u7ae0\u4e2d\uff0c\u4f5c\u8005\u901a\u8fc7\u7406\u8bba\u8ba1\u7b97\u4e0e\u5b9e\u9a8c\u76f8\u7ed3\u5408\uff0c\u9996\u6b21\u6210\u529f\u5408\u6210\u51fa\u4e24\u4e2a\u7a33\u5b9a\u5b58\u5728\u7684\u56db\u91cd\u9499\u949b\u77ff\u5364\u5316\u7269\u3002\u4f5c\u8005\u9996\u5148\u4ecb\u7ecd\u4e86\u5229\u7528\u91d1\u5c5e\u79bb\u5b50\u7684\u66ff\u6362\u89c4\u5f8b\u53ef\u4ee5\u5b9e\u73b0\u4ece\u7b80\u5355\u9499\u949b\u77ff\u5364\u5316\u7269\u5230\u53cc\u91cd\u9499\u949b\u77ff\u5364\u5316\u7269\uff0c\u6700\u540e\u53d1\u5c55\u4e3a\u56db\u91cd\u5364\u5316\u7269\u9499\u949b\u77ff\uff1b\u63a5\u4e0b\u6765\u901a\u8fc7\u7406\u8bba\u8ba1\u7b97\u63a2\u7d22\u51fa\u7a33\u5b9a\u7ed3\u6784A4<\/sub>\u00f0BII<\/sup>BIII<\/sup>2<\/sub>X12<\/sub>\uff0c\u901a\u8fc7\u5b9e\u9a8c\u6210\u529f\u5408\u6210\u51faCs4<\/sub>CdSb2<\/sub>Cl12<\/sub>\u00a0(CCSC)\u548cCs4<\/sub>CdBi2<\/sub>Cl12<\/sub>\u00a0(CCBC) \u4e24\u4e2a\u7a33\u5b9a\u5b58\u5728\u7684\u5316\u5408\u7269\uff0c\u5e76\u4e14\u5728\u7406\u8bba\u4e0e\u5b9e\u9a8c\u4e0a\u8fdb\u4e00\u6b65\u7814\u7a76\u8be5\u6750\u6599\u7684\u5149\u7535\u6027\u80fd\uff1b\u6700\u540e\u603b\u7ed3\u4e86\u56db\u91cd\u9499\u949b\u77ff\u5364\u5316\u7269\u7684\u53d1\u73b0\uff0c\u6709\u671b\u4e3a\u63a2\u7d22\u65b0\u578b\u9499\u949b\u77ff\u6750\u6599\u63d0\u4f9b\u65b0\u7684\u601d\u8def\u3002<\/p>\n \u3010<\/b><\/strong>\u56fe\u6587\u5bfc\u8bfb<\/b><\/strong>\u3011<\/b><\/strong><\/p>\n \u56fe1<\/b><\/strong>\u00a0<\/b><\/strong>\u56db\u91cd\u9499\u949b\u77ff\u7684\u9633\u79bb\u5b50\u66ff\u6362\u8bbe\u8ba1\u601d\u8def\u548c\u53ef\u80fd\u7684\u7ed3\u6784\u793a\u610f\u56fe<\/b><\/strong><\/p>\n (a) \u4ece\u7b80\u5355\u9499\u949b\u77ff\u5230\u53cc\u91cd\u9499\u949b\u77ff\uff0c\u518d\u5230\u56db\u91cd\u9499\u949b\u77ff\u7684\u91d1\u5c5e\u79bb\u5b50\u66ff\u6362\u8bbe\u8ba1\u793a\u610f\u56fe<\/p>\n (b) \u5177\u6709\u4e0d\u540c\u00f0\/BII<\/sup>\u6392\u5217\u7684A4<\/sub>\u00f0\u00a0BII<\/sup>BIII<\/sup>2<\/sub>X12<\/sub>\u00a0\u7684\u76f8\u5bf9\u603b\u80fd\u91cf\uff0c\u5bf9\u4e8e\u6bcf\u79cd\u5316\u5408\u7269\uff0c\u6784\u578bA\u7684\u80fd\u91cf\u4e3a\u96f6\u70b9\u3002<\/p>\n (c-f) \u5177\u6709\u4e0d\u540c\u00f0\/BII<\/sup>\u6392\u5217\u7684A4<\/sub>\u00a0\u00f0\u00a0BII<\/sup>BIII<\/sup>2<\/sub>X12<\/sub>\u7684\u4f20\u7edf\u6676\u4f53\u7ed3\u6784\uff0c\u5206\u522b\u5728(b)\u4e2d\u6807\u8bb0\u4e3aA, B, C\u548cD\u3002<\/p>\n \u56fe2<\/b><\/strong>\u00a0<\/b><\/strong>\u56db\u91cd\u9499\u949b\u77ff\u7ed3\u6784\u7684\u5206\u89e3\u8def\u5f84\u548c\u70ed\u529b\u5b66\u7a33\u5b9a\u6027\u5206\u6790<\/b><\/strong><\/p>\n (a) \u8ba1\u7b97\u5f97\u5230\u7684A4<\/sub>BII<\/sup>BIII<\/sup>2<\/sub>X12<\/sub>(A = Cs; BII<\/sup>= Zn, Cd; BIII<\/sup>\u00a0= Sb, Bi; X = Cl, Br, I)\u00a0\u6700\u53ef\u80fd\u5206\u89e3\u8def\u5f84\u7684\u5206\u89e3\u7113(\u0394Hd<\/sub>)\u3002\u7ea2\u8272\u548c\u84dd\u8272\u6761\u5206\u522b\u8868\u793a\u5206\u89e3\u8def\u5f84A4<\/sub>BII<\/sup>BIII<\/sup>2<\/sub>X12<\/sub>\u00a0\u2192 A3<\/sub>BIII<\/sup>2<\/sub>X9<\/sub>\u00a0+ ABII<\/sup>X3<\/sub>\u00a0\u548c A4<\/sub>BII<\/sup>BIII<\/sup>2<\/sub>X12<\/sub>\u00a0\u2192 A3<\/sub>BIII<\/sup>2<\/sub>X9<\/sub>\u00a0+ 1\/2A2<\/sub>BII<\/sup>X4<\/sub>\u00a0+ 1\/2BII<\/sup>X2<\/sub>\u3002<\/p>\n (b,c) \u5728 \u0394\u03bc<\/i><\/em>Cl<\/sub>\u00a0= \u22120.6 eV\u65f6\u8ba1\u7b97\u7684Cs\u2212Cd\u2212Sb\u2212Cl \u548cCs\u2212Cd\u2212Bi\u2212Cl\u56db\u5143\u4f53\u7cfb\u76f8\u56fe\u3002<\/p>\n \u56fe3<\/b><\/strong>\u00a0<\/b><\/strong>\u80fd\u5e26\u7ed3\u6784\u3001\u8dc3\u8fc1\u6982\u7387\u548c\u7535\u8377\u5bc6\u5ea6\u5206\u6790<\/b><\/strong><\/p>\n (a, d) \u80fd\u5e26\u7ed3\u6784\u548c\u76f8\u5e94\u7684\u8dc3\u8fc1\u77e9\u9635\u5143\u7684\u5e73\u65b9\uff08\u8dc3\u8fc1\u6982\u7387\uff09\uff0c\u00a0(a-c) CCSC\u548c(d-f) CCBC\u7684(b, e) \u4ef7\u5e26\u9876\u548c\u00a0(c, f) \u5bfc\u5e26\u5e95\u7684\u7535\u8377\u5bc6\u5ea6\u3002\u4e3a\u4e86\u8bf4\u660e\u80fd\u5e26\u5e26\u9699\u7684\u5dee\u5f02\uff0c\u5c06CCSC\u7684\u4ef7\u5e26\u9876\u7684\u80fd\u91cf\u8bbe\u5b9a\u4e3a\u96f6\uff0cCCBC\u7684\u80fd\u5e26\u80fd\u91cf\u901a\u8fc7\u53c2\u8003Cs\u539f\u5b50\u7684\u9759\u7535\u52bf\u6765\u6821\u51c6\u3002<\/p>\n \u56fe4<\/b><\/strong>\u00a0<\/b><\/strong>\u76f4\u63a5\u7981\u963b\u5e26\u9699\u3001\u5bbd\u5e26\u53d1\u5c04\u3001\u6696\u6a59\u8272\u53d1\u5149<\/b><\/strong><\/p>\n (a \u548cb) CCSC\u548cCCBC\u7684Tauc\u56fe, \u5206\u8868\u8868\u793a(a)\u76f4\u63a5\u7981\u6b62\u548c(b)\u76f4\u63a5\u5141\u8bb8\u7684\u5e26\u9699\u3002(c) CCSC\u548cCCBC\u5728\u5ba4\u6e29\u4e0b\u7684\u8367\u5149\u6fc0\u53d1\u548c\u8367\u5149\u53d1\u5c04\u5149\u8c31; (d) CCSC\u548cCCBC\u7684\u8367\u5149\u7684CIE\u548cCCT\u5750\u6807\u3002<\/p>\n \u56fe5<\/b><\/strong>\u00a0<\/b><\/strong>\u6e29\u5ea6\u4f9d\u8d56\u6027\u3001\u5fae\u79d2\u7ea7\u7684\u8367\u5149\u5bff\u547d<\/b><\/strong><\/p>\n (a)\u00a0CCBC\u7684\u8367\u5149\u6fc0\u53d1\u548c\u8367\u5149\u53d1\u5c04\u7684\u6e29\u5ea6\u4f9d\u8d56\u6027\u3002(b) CCBC\u4e0d\u540c\u53d1\u5c04\u6ce2\u957f\u4e0b\u7684\u8367\u5149\u6fc0\u53d1\u8c31\uff0c\u6e29\u5ea6\u4e3a77K\u3002(c) CCBC\u572877 K\uff0c150 K\u548c298 K\u4e0b\u7684\u8367\u5149\u5bff\u547d\u3002<\/p>\n \u3010<\/b><\/strong>\u5c0f\u7ed3<\/b><\/strong>\u3011<\/b><\/strong><\/p>\n \u672c\u6587\u9996\u6b21\u8bbe\u8ba1\u51fa\u5177\u6709\u4e09\u7ef4\u7a7a\u4f4d\u6709\u5e8f\u7684\u56db\u91cd\u9499\u949b\u77ff\u7ed3\u6784A4<\/sub>\u00a0\u00f0\u00a0BII<\/sup>BIII<\/sup>2<\/sub>X12<\/sub>\uff08\u00f0\u00a0= \u7a7a\u4f4d\uff09\uff0c\u662f\u7528\u4e00\u4e2aBI<\/sup>\u548c\u4e00\u4e2a\u00f0(\u7a7a\u4f4d)\u4ee3\u66ffA2<\/sub>BI<\/sup>BIII<\/sup>X6<\/sub>\u4e2d\u7684\u4e24\u4e2aBI<\/sup>\u4ece\u800c\u5f97\u5230\u76ee\u6807\u9499\u949b\u77ff\u7ed3\u6784\u3002\u5bf9\u79f0\u6027\u5206\u6790\u548c\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u8ba1\u7b97\u8868\u660e\uff0c\u5728\u6240\u8003\u8651\u7684A4<\/sub>\u00a0\u00f0\u00a0BII<\/sup>BIII<\/sup>2<\/sub>X12<\/sub>\uff08A = Cs; BII<\/sup>\u00a0= Zn\u548cCd; BIII<\/sup>\u00a0= Sb\u548cBi; X = Cl,\u00a0Br\u548cI\uff09\u4e2d\uff0cCs4<\/sub>CdSb2<\/sub>Cl12<\/sub>\u00a0(CCSC) \u548cCs4<\/sub>CdBi2<\/sub>Cl12<\/sub>(CCBC) \u5728\u70ed\u529b\u5b66\u4e0a\u662f\u7a33\u5b9a\u5b58\u5728\uff0c\u5b9e\u9a8c\u7ed3\u679c\u4e5f\u8bc1\u5b9e\u4e86\u6211\u4eec\u7684\u7406\u8bba\u9884\u6d4b\u3002CCSC\u548cCCBC\u5177\u6709\u4e09\u7ef4\u7684\u7535\u5b50\u7ed3\u6784\uff0c\u5bbd\u7684\u76f4\u63a5\u5e26\u9699\u3002\u7a33\u6001\u8367\u5149\u663e\u793a\u51fa\u6696\u6a59\u8272\u53d1\u5c04\uff0c\u4f4e\u6e29\u77ac\u6001\u8367\u5149\u663e\u793a\u51fa\u5fae\u79d2\u7ea7\u7684\u8f7d\u6d41\u5b50\u590d\u5408\u5bff\u547d\u3002\u56e0\u6b64\uff0c\u8fd9\u79cd\u5177\u6709\u76f4\u63a5\u5e26\u9699\u548c\u591a\u4e2a\u6676\u683c\u4f4d\u70b9\u7684\u4e09\u7ef4\u56db\u91cd\u9499\u949b\u77ff\u5364\u5316\u7269\u5c06\u4e3a\u63a2\u7d22\u65b0\u578b\u5149\u7535\u6750\u6599\u63d0\u4f9b\u72ec\u7279\u7684\u6750\u6599\u6a21\u677f\u3002<\/p>\n
\u00a0\u00a0\u00a0<\/p>\n
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