{"id":178703,"date":"2019-06-27T06:30:48","date_gmt":"2019-06-26T22:30:48","guid":{"rendered":"\/\/m.iemloyee.com\/?p=178703"},"modified":"2019-06-26T18:49:53","modified_gmt":"2019-06-26T10:49:53","slug":"%e3%80%90%e5%ae%a1%e7%a8%bf%e5%b7%b2%e5%9b%9e%e5%a4%8d%e3%80%91j-phys-d-appl-phys-2019%e5%b9%b4%e5%ba%a6%e7%9a%84%e6%9d%90%e6%96%99%e8%ae%be%e8%ae%a1","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=178703","title":{"rendered":"J. Phys. D: Appl. Phys.:2019\u5e74\u5ea6\u7684\u6750\u6599\u8bbe\u8ba1"},"content":{"rendered":"
\u3010\u5f15\u8a00<\/strong>\u3011<\/p>\n \u53ef\u518d\u751f\u548c\u53ef\u6301\u7eed\u80fd\u6e90\u6280\u672f\u7684\u8fdb\u6b65\u5728\u5f88\u5927\u7a0b\u5ea6\u4e0a\u53d6\u51b3\u4e8e\u7814\u7a76\u8005\u8bbe\u8ba1\u5177\u6709\u6700\u4f73\u6027\u80fd\u6750\u6599\u7684\u80fd\u529b\u3002\u8ba1\u7b97\u65b9\u6cd5\u901a\u8fc7\u5feb\u901f\u548c\u5168\u9762\u5730\u9884\u6d4b\u6750\u6599\u7a33\u5b9a\u6027\u548c\u6027\u80fd\u6765\u52a0\u901f\u6750\u6599\u7684\u8bbe\u8ba1\u8fc7\u7a0b\u3002\u8ba1\u7b97\u6750\u6599\u5c5e\u6027\u6570\u636e\u5e93\u4e2d\u7684\u7406\u8bba\u9884\u6d4b\u6750\u6599\u6570\u91cf\uff0c\u73b0\u5728\u53ef\u4e0e\u6676\u4f53\u6570\u636e\u5e93\u4e2d\u7684\u5b9e\u9a8c\u6761\u76ee\u6570\u91cf\u76f8\u5ab2\u7f8e\u3002\u66f4\u91cd\u8981\u7684\u662f\uff0c\u8ba1\u7b97\u6750\u6599\u5b66\u7684\u53d1\u5c55\u4e5f\u52a0\u901f\u4e86\u65b0\u5174\u529f\u80fd\u6750\u6599\u7684\u5f00\u53d1\u901f\u5ea6\u3002\u6750\u6599\u8bbe\u8ba1\u51fa\u7248\u7269\u7684\u6570\u91cf\u51e0\u4e4e\u5448\u6307\u6570\u589e\u957f\uff0c\u901a\u8fc7ab initio\u8ba1\u7b97\u548c\u7528\u4e8e\u8fd0\u884c\u9ad8\u901a\u91cf\u8ba1\u7b97\u7814\u7a76\u4fc3\u8fdb\u4e86\u6750\u6599\u8bbe\u8ba1\u7684\u53d1\u5c55\uff0c\u4ece\u800c\u52a0\u901f\u4e86\u6750\u6599\u7684\u8bbe\u8ba1\u7814\u7a76\u3002\u5c3d\u7ba1\u57fa\u4e8e\u6750\u6599\u8ba1\u7b97\u7684\u6750\u6599\u8bbe\u8ba1\u53d6\u5f97\u4e86\u9636\u6bb5\u6027\u7684\u80dc\u5229\uff0c\u4f46\u8fd9\u79cd\u8bbe\u8ba1\u7406\u5ff5\u76f8\u5bf9\u8f83\u65b0\uff0c\u9700\u8981\u8fdb\u4e00\u6b65\u6df1\u5165\u7814\u7a76\u3002<\/p>\n \u3010\u6210\u679c\u7b80\u4ecb<\/strong>\u3011<\/p>\n \u8fd9\u7bc7\u7efc\u8ff0\u6982\u8ff0\u4e86\u8ba1\u7b97\u6750\u6599\u9884\u6d4b\u65b9\u6cd5\uff0c\u5408\u6210\u8fc7\u7a0b\u548c\u8868\u5f81\u65b9\u6cd5\uff0c\u4ee5\u53ca\u8fd9\u4e9b\u8ba1\u7b97\u548c\u5b9e\u9a8c\u6280\u672f\u5728\u5404\u79cd\u80fd\u6e90\u76f8\u5173\u6280\u672f\u4e2d\u7684\u5e94\u7528\u3002\u6587\u7ae0\u8fd8\u8ba8\u8bba\u4e86\u901a\u8fc7\u8bbe\u8ba1\u65b9\u6cd5\u6539\u8fdb\u6750\u6599\u5fc5\u987b\u89e3\u51b3\u7684\u95ee\u9898\u548c\u672a\u6765\u673a\u9047\u3002\u8fd9\u7bc7\u7efc\u8ff0\u9080\u8bf7\u4e86\u6bcf\u4e2a\u9886\u57df\u7684\u4e3b\u8981\u7814\u7a76\u4eba\u5458\u5bf9\u9886\u57df\u5185\u7684\u76f8\u5173\u95ee\u9898\u8fdb\u884c\u8ba8\u8bba\uff0c\u5e76\u63d0\u4f9b\u4ed6\u4eec\u5bf9\u6750\u6599\u8bbe\u8ba1\u9886\u57df\u7684\u770b\u6cd5\u548c\u613f\u666f\u3002\u6587\u7ae0\u6db5\u76d6\u7684\u4e3b\u9898\u5305\u62ec\u8ba1\u7b97\u6280\u672f\uff0c\u7ed3\u679c\u9a8c\u8bc1\uff0c\u6750\u6599\u6570\u636e\u5e93\uff0c\u6750\u6599\u4fe1\u606f\u5b66\uff0c\u9ad8\u901a\u91cf\u7ec4\u5408\u65b9\u6cd5\uff0c\u9ad8\u7ea7\u8868\u5f81\u65b9\u6cd5\uff0c\u4ee5\u53ca\u70ed\u7535\u5b66\uff0c\u5149\u4f0f\uff0c\u56fa\u6001\u7167\u660e\uff0c\u7535\u6c60\uff0c\u91d1\u5c5e\u5408\u91d1\u4e2d\u7684\u6750\u6599\u8bbe\u8ba1\u95ee\u9898\u3002\u8be5\u6210\u679c\u4ee5\u9898\u4e3a\u201cThe 2019 Materials by Design Roadmap<\/strong>\u201d\u53d1\u8868\u5728J. Phys. D: Appl. Phys.<\/strong>\u4e0a\u3002<\/p>\n \u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n Figure 1.<\/strong>\u6750\u6599\u8bbe\u8ba1\u51fa\u7248\u7269\u6570\u91cf\u7684\u53d8\u5316<\/strong><\/p>\n (a).\u65e0\u673a\u6676\u4f53\u7ed3\u6784\u6570\u636e\u5e93\uff08ICSD\uff09\u548c\u8ba1\u7b97\u6570\u636e\u5e93\u4e2d\u5305\u542b\u7684\u5316\u5408\u7269\u603b\u6570<\/p>\n (b).\u201c\u6750\u6599\u8bbe\u8ba1\u201d\u76f8\u5173\u7684\u51fa\u7248\u7269\u6570\u91cf<\/p>\n Figure 2.<\/strong>\u6750\u6599\u8bbe\u8ba1\u65b9\u6848\u793a\u610f\u56fe<\/strong><\/p>\n Figure 3.<\/strong>\u901a\u8fc7<\/strong>PBE<\/strong>\u3001<\/strong>ACBN0<\/strong>\u3001<\/strong>HSE\/GW<\/strong>\u83b7\u5f97\u7684\u7406\u8bba\u503c\u4e0e\u5b9e\u9a8c\u7684\u5dee\u8ddd<\/strong><\/p>\n Figure 4.<\/strong>\u4e0e\u5df2\u77e5\u5b9e\u9a8c\u6570\u636e\u76f8\u6bd4\uff0c\u4e8c\u5143\u5408\u91d1\u5f62\u6210\u7684\u9ad8\u901a\u91cf\u8ba1\u7b97\u5206\u6790<\/strong><\/p>\n Figure 5.<\/strong>\u8ba1\u7b97\u8fc7\u7a0b\u7684\u793a\u610f\u56fe<\/strong><\/p>\n Figure 6.<\/strong>\u5e94\u7528\u4e8e\u6676\u683c\u70ed\u5bfc\u7387\u548c\u5fb7\u62dc\u6e29\u5ea6\u7684<\/strong>AGL<\/strong>\u8ba1\u7b97\u65b9\u6cd5\u7684\u9a8c\u8bc1\u7814\u7a76<\/strong><\/p>\n Figure 7.<\/strong>\u9ad8\u901a\u91cf\u7406\u8bba\u548c\u5b9e\u9a8c\u7684\u6574\u5408<\/strong><\/p>\n Figure 8.<\/strong>\u5b9e\u9a8c\u548c\u6570\u636e\u5206\u6790\u6d41\u7a0b<\/strong><\/p>\n Figure 9.<\/strong>\u8bbe\u8ba1\u7528\u4e8e\u7814\u7a76\u52a9\u710a\u5242\u53cd\u5e94\u8fc7\u7a0b\u4e2d\u76f8\u5f62\u6210\u7684\u539f\u4f4d\u6bdb\u7ec6\u7ba1\u7089\u7684\u793a\u610f\u56fe<\/strong><\/p>\n (a).\u4f7f\u7528X\u5c04\u7ebf\u884d\u5c04\u539f\u4f4d\u76d1\u6d4b\u76f8\u5f62\u6210<\/p>\n (b).Cu-K2<\/sub>S3<\/sub>\u53cd\u5e94\u7684\u5168\u666f\u56fe<\/p>\n Figure 10.<\/strong>\u5728\u4f4e\u6d53\u5ea6\u548c\u9ad8\u6d53\u5ea6\u7684\u7a33\u5b9a\u5242\u4e0b\u539f\u4f4d\u5408\u6210<\/strong>Pt<\/strong>\u7eb3\u7c73\u7ed3\u6784<\/strong><\/p>\n (a).\u65f6\u95f4\u5206\u8fa8\u7684X\u5c04\u7ebf\u884d\u5c04<\/p>\n (b).\u5728Pt\uff08111\uff09\u5cf0\u4e0b\u9762\u79ef\u7684\u65f6\u95f4\u6f14\u53d8\uff0c\u8868\u793a\u751f\u957f\u9636\u6bb5I-IV<\/p>\n (c).\u9636\u6bb5I-III\u7684Pt\u7eb3\u7c73\u9897\u7c92\u751f\u957f\u673a\u5236\u7684\u793a\u610f\u56fe<\/p>\n Figure 11.<\/strong>\u901a\u7528\u6750\u6599\u4fe1\u606f\u5b66\u5de5\u4f5c\u6d41\u7a0b<\/strong><\/p>\n Figure 12.<\/strong>\u6750\u6599\u4fe1\u606f\u5b66\u4e2d\u7684\u7f51\u7edc\u5206\u6790\u65b9\u6cd5<\/strong><\/p>\n Figure 13.<\/strong>\u591a\u7ef4\u6750\u6599\u53d1\u73b0\u7684\u7b80\u5316\u56fe\u793a\uff0c\u663e\u793a\u4e86\u4e0d\u540c\u5143\u7d20\uff0c\u5316\u5b66\u8ba1\u91cf\u548c\u7ed3\u6784<\/strong><\/p>\n Figure 14.<\/strong>\u4e0e\u57fa\u6001\u7ed3\u6784\u76f8\u6bd4\uff0c\u4e9a\u7a33\u6001\u6750\u6599\u7684\u793a\u610f\u56fe\u4ee5\u53ca\u5b83\u4eec\u7684\u5408\u6210<\/strong><\/p>\n Figure 15.<\/strong>\u591a\u5c3a\u5ea6\u591a\u7269\u7406\u7684\u8ba1\u7b97\u6750\u6599\u8bbe\u8ba1<\/strong><\/p>\n (a).\u4ece\u6eb6\u6db2\u4e2d\u7ed3\u6676\u7684\u591a\u4e2a\u9014\u5f84<\/p>\n (b).\u5728\u6709\u548c\u6ca1\u6709\u50ac\u5316\u5242C\u7684\u60c5\u51b5\u4e0b\uff0c\u4ece\u53cd\u5e94\u7269X\u548cY\u5230\u4ea7\u7269Z\u7684\u52bf\u80fd\u66f2\u7ebf<\/p>\n (c).\u83b7\u5f97\u4e9a\u7a33\u76f8\u5408\u6210\u8def\u5f84\u7684\u5e7f\u4e49\u81ea\u7531\u80fd-\u538b\u529b\u76f8\u56fe<\/p>\n Figure 16.<\/strong>\u4e9a\u7a33\uff0c\u6df7\u5408\u548c\u5206\u5c42\u7ed3\u6784\u7684\u63a2\u7d22\u6027\u5408\u6210<\/strong><\/p>\n (a).\u5177\u6709\u548c\u6ca1\u6709GaAs\u58f3\u7684GaAsSb\u534a\u5bfc\u4f53\u7eb3\u7c73\u7ebf<\/p>\n (b).\u5728\u4e9a\u7a33\u6001\u5ca9\u76d0\u7ed3\u6784\u4e2d\u62d3\u6251\u7edd\u7f18\u4f53SnSe\u7684\u6676\u4f53\u7ed3\u6784\uff0c\u901a\u8fc7GaAs\u886c\u5e95\u4e0a\u7684\u4f4e\u6e29\u5206\u5b50\u675f\u5916\u5ef6\u7a33\u5b9a<\/p>\n (c).\u7406\u8bba\u8f85\u52a9\u7684\u5408\u6210<\/p>\n Figure 17.<\/strong>\u70ed\u7535\u53d1\u7535\u673a\u6548\u7387\u968f\u65f6\u95f4\u7684\u53d8\u5316<\/strong><\/p>\n Figure 18.<\/strong>\u4e00\u4e9b\u6750\u6599\u7684\u70ed\u7535\u6027\u80fd<\/strong><\/p>\n Figure 19.<\/strong>\u5364\u7d20\u9499\u949b\u77ff\u6750\u6599\u548c\u5668\u4ef6\u7684\u521b\u65b0\u7a7a\u95f4\u793a\u610f\u56fe<\/strong><\/p>\n Figure 20.OPV<\/strong>\u6750\u6599\u5f00\u53d1\u4e2d\u4f7f\u7528\u7b56\u7565\u7684\u65f6\u95f4\u8868<\/strong><\/p>\n Figure 21.<\/strong>\u78f7\u5149\u4f53\u8f6c\u6362\uff08<\/strong>pc<\/strong>\uff09\u548c\u989c\u8272\u6df7\u5408\uff08<\/strong>cm<\/strong>\uff09<\/strong>LED<\/strong>\u7684\u53d1\u5c04\u5149\u8c31<\/strong><\/p>\n Figure 22.<\/strong>\u4f7f\u7528\u9ad8\u5f3a\u5ea6\u84dd\u8272\u6fc0\u53d1\u52a0\u901f\u78f7\u5149\u4f53\u7684\u53ef\u9760\u6027\u6d4b\u8bd5<\/strong><\/p>\n Figure 23.<\/strong>\u516b\u9762\u4f53\u9876\u90e8\u4f4d\u70b9\u7684\u5e7f\u4e49\u914d\u4f4d\u6570\u548c\u7528\u4e8e\u8499\u7279\u5361\u7f57\u50ac\u5316\u6d3b\u6027\u5efa\u6a21\u7684<\/strong> Pt<\/strong>\u7c92\u5b50\u7684<\/strong>CO<\/strong>\u6c27\u5316\u6d3b\u6027<\/strong><\/p>\n Figure 24.CO<\/strong>\u50ac\u5316<\/strong>Co<\/strong>\u89e3\u79bb\u7684\u539f\u5b50\u5206\u8fa8\u7387\u539f\u4f4d\u626b\u63cf\u96a7\u9053\u663e\u5fae\u955c\u56fe\u50cf<\/strong><\/p>\n Figure 25.<\/strong>\u5229\u7528\u9ad8\u901a\u91cf\u6280\u672f\u548c\u6570\u636e\u79d1\u5b66\u5f00\u53d1\u9502\u7535\u6c60\u6750\u6599<\/strong><\/p>\n Figure 26.<\/strong>\u672a\u6765\u7684\u9502\u7535\u6c60\u53d1\u5c55\u8def\u7ebf\u56fe<\/strong><\/p>\n Figure 27.<\/strong>\u94c1\u6750\u6599\u4e2d\u7684\u4e00\u7cfb\u5217\u529f\u80fd\u54cd\u5e94\u548c\u547d\u540d\u6548\u679c\u8868<\/strong><\/p>\n Figure 28.<\/strong>\u5c06\u9ad8\u901a\u91cf\u8ba1\u7b97\u4e0e\u5148\u8fdb\u5408\u6210\u76f8\u7ed3\u5408\uff0c\u6765\u8bbe\u8ba1\u9ad8\u6027\u80fd\u529f\u80fd\u6750\u6599<\/strong><\/p>\n Figure 29.Al<\/strong>\u63ba\u6742\u7684<\/strong>ZnO TCO<\/strong>\u8584\u819c\u7684\u5149\u5b66\u53cd\u5c04\uff0c\u900f\u5c04\u548c\u5438\u6536\u5149\u8c31<\/strong><\/p>\n Figure 30.Al<\/strong>\u63ba\u6742<\/strong>ZnO<\/strong>\u8584\u819c<\/strong>TCO<\/strong>\u4e0e<\/strong>Ag-NW\/ZnO<\/strong>\u590d\u5408\u900f\u660e\u5bfc\u4f53\u900f\u5c04\u5149\u8c31\u7684\u6bd4\u8f83<\/strong><\/p>\n \u3010\u5c0f\u7ed3\u3011<\/strong><\/p>\n 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