{"id":173083,"date":"2019-04-21T06:30:07","date_gmt":"2019-04-20T22:30:07","guid":{"rendered":"\/\/m.iemloyee.com\/?p=173083"},"modified":"2019-04-19T22:39:11","modified_gmt":"2019-04-19T14:39:11","slug":"%e3%80%90%e5%9b%bd%e5%a4%96%e7%a8%bf%e4%bb%b6%e3%80%91%e6%8e%a2%e7%b4%a2%e5%bc%80%e5%8f%91%e6%9b%b4%e5%8a%a0%e7%a8%b3%e5%ae%9a%e3%80%81%e6%97%a0%e6%af%92%e3%80%81%e9%ab%98%e6%95%88%e7%9a%84%e5%8d%a4","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=173083","title":{"rendered":"\u63a2\u7d22\u5f00\u53d1\u66f4\u52a0\u7a33\u5b9a\u3001\u65e0\u6bd2\u3001\u9ad8\u6548\u7684\u5364\u5316\u7269\u9499\u949b\u77ff\u6750\u6599"},"content":{"rendered":"<p><strong>\u3010\u7814\u7a76\u80cc\u666f\u3011<\/strong><\/p>\n<p>\u5364\u5316\u9499\u949b\u77ff\u539f\u6599\u5ec9\u4ef7\u6613\u5f97\uff0c\u6781\u5176\u5177\u6709\u5546\u4e1a\u5316\u6f5c\u529b\u3002\u4f46\u5927\u591a\u6570\u5364\u5316\u9499\u949b\u77ff\u542b\u6709\u6709\u6bd2\u5143\u7d20\u94c5\uff0c\u5e76\u4e14\u5728\u6f6e\u6e7f\u73af\u5883\u4e2d\u7a33\u5b9a\u6027\u5dee\uff0c\u56e0\u6b64\u5927\u5927\u9650\u5236\u5176\u5546\u4e1a\u5e94\u7528\u3002\u867d\u7136\u5728MAPbI<sub>3<\/sub>\u548cFAPbI<sub>3<\/sub>\u4e2d\uff0c\u53ef\u4ee5\u901a\u8fc7\u7528Sn\u6216Ge\u53d6\u4ee3Pb\u6765\u89e3\u51b3\u6bd2\u6027\u95ee\u9898\u5e76\u589e\u52a0\u9499\u949b\u77ff\u5728\u6f6e\u6e7f\u7a7a\u6c14\u4e2d\u7684\u7a33\u5b9a\u6027\uff0c\u4f46\u662f\u5176\u6548\u7387\u4e5f\u5927\u5927\u964d\u4f4e\u3002\u6b64\u5916\uff0c\u8fd8\u6709\u7814\u7a76\u8005\u5229\u7528\u5728A\u4f4d\u63ba\u6742Cs\u548cRb\uff0cX\u4f4d\u63ba\u6742Br\u548cCl\uff0cB\u4f4d\u63ba\u6742Sn\u548cGe\u4e5f\u53ef\u63d0\u9ad8\u5176\u5728\u6f6e\u6e7f\u73af\u5883\u4e2d\u7684\u7a33\u5b9a\u6027\u3002\u9664\u4e86\u7b5b\u9009\u4f20\u7edf\u7684\u9499\u949b\u77ff\u7ed3\u6784\uff0c\u8fd1\u671f\u8fd8\u901a\u8fc7\u8ba1\u7b97\u53d1\u73b0\u65b0\u7684\u7a33\u5b9a\u6027\u8f83\u597d\u7684\u5364\u5316\u9499\u949b\u77ff\u548c\u53cc\u9499\u949b\u77ff\u3002\u867d\u7136\u76ee\u524d\u5df2\u7ecf\u8fdb\u884c\u4e86\u5927\u91cf\u8ba1\u7b97\u7b5b\u9009\u7814\u7a76\uff0c\u4f46\u5b58\u5728\u7b5b\u9009\u5206\u6790\u4e0d\u591f\u5b8c\u6574\u3001\u6750\u6599\u7ec4\u6210\u5355\u4e00\u7b49\u95ee\u9898\uff0c\u8fd9\u9650\u5236\u4e86\u7a33\u5b9a\u3001\u65e0\u6bd2\u7684\u5364\u5316\u7269\u9499\u949b\u77ff\u65b0\u6750\u6599\u7684\u8fdb\u4e00\u6b65\u53d1\u5c55\u3002<\/p>\n<p><strong>\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n<p>\u8fd1\u671f\uff0c<strong>\u5a01\u65af\u5eb7\u661f\u5927\u5b66\u9ea6\u8fea\u900a\u5206\u6821<\/strong><strong>Dane Morgan<\/strong><strong>\u6559\u6388<\/strong>\u91c7\u7528\u9ad8\u901a\u91cf\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u65b9\u6cd5\uff0c\u5bf91845\u4e2a\u5364\u5316\u7269\u9499\u949b\u77ff\u8fdb\u884c\u8ba1\u7b97\u5efa\u6a21\u548c\u7b5b\u9009\uff0c\u4ee5\u5bfb\u627e\u7a33\u5b9a\u6027\u66f4\u597d\u4e14\u4e0d\u542b\u6709\u6bd2\u94c5\u7684\u65b0\u6750\u6599\uff0c\u91cd\u70b9\u5bfb\u627e\u65e0\u6bd2\u4e14\u5728\u6f6e\u6e7f\u73af\u5883\u4e2d\u7a33\u5b9a\u7684\u6750\u6599\uff0c\u5e76\u4e3a\u5355\u7ed3\u3001\u4e32\u8054\u7845\u9499\u949b\u77ff\u6216\u91cf\u5b50\u70b9\u592a\u9633\u80fd\u7535\u6c60\u63d0\u4f9b\u6700\u4f73\u5e26\u9699\u3002\u901a\u8fc7\u8ba1\u7b97\u7b5b\u9009\u53d1\u73b0\u4e86\u76ee\u524d\u5177\u6709\u6700\u9ad8\u7684\u5149\u4f0f\u6548\u7387\uff08\u8d85\u8fc722.7%\uff09\u5364\u5316\u7269\u9499\u949b\u77ff\u5355\u7ed3\u6750\u6599\u3002\u540c\u65f6\uff0c\u53ef\u4ee5\u901a\u8fc7\u5b9e\u9a8c\u8bc4\u4f30\u6216\u4ece\u7406\u8bba\u4e0a\u9884\u6d4b\u5df2\u77e5\u7684\u65e0\u6bd2\u5364\u5316\u7269\u9499\u949b\u77ff\u7684\u6027\u8d28\u3002\u4ece1845\u79cd\u6750\u6599\u4e2d\uff0c\u670915\u79cd\u6750\u6599\u901a\u8fc7\u4e86\u5355\u7ed3\u7535\u6c60\u5e94\u7528\u7684\u6240\u6709\u7b5b\u9009\u6807\u51c6\uff0c\u5305\u542b13\u79cd\u65b0\u53d1\u73b0\u7684\u6750\u6599\u3002\u6240\u6709\u7b5b\u9009\u51fa\u7684\u8fd9\u4e9b\u6750\u6599\u53ef\u80fd\u662f\u7a33\u5b9a\u3001\u9ad8\u6548\u548c\u65e0\u6bd2\u7684\u9499\u949b\u77ff\u592a\u9633\u80fd\u7535\u6c60\u7684\u5019\u9009\u6750\u6599\u3002\u8be5\u6210\u679c\u8fd1\u65e5\u4ee5\u9898\u4e3a\u201c<strong>Materials Discovery of Stable and Nontoxic Halide Perovskite Materials for High-Efficiency Solar Cells<\/strong>\u201d\u53d1\u8868\u5728\u77e5\u540d\u671f\u520a<strong>Adv. Funct. Mater.<\/strong>\u4e0a\u3002<\/p>\n<p><strong>\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n<p><strong>\u56fe\u4e00\uff1a\u603b\u7ed3\u672c\u7814\u7a76\u4e2d\u7b5b\u9009\u548c\u6dd8\u6c70\u6807\u51c6<\/strong><\/p>\n<p>\u5bf9\u4e8e\u6750\u6599\u7ec41-5\uff0c\u5f15\u7528\u6240\u5217\u7684\u6dd8\u6c70\u6807\u51c6\u6765\u51cf\u5c11\u5019\u9009\u9499\u949b\u77ff\u6750\u6599\u7684\u6570\u91cf\u3002\u8fd9\u4e9b\u6750\u6599\u7531\u65e0\u6bd2\u5143\u7d20\u7ec4\u6210\uff0c\u5177\u6709\u7a33\u5b9a\u6001\u6216\u4e9a\u7a33\u6001\uff0c\u5728\u5355\u7ed3\u7535\u6c60\u3001\u7845\u9499\u949b\u77ff\u4e32\u8054\u7535\u6c60\u548c\u91cf\u5b50\u70b9\u5e94\u7528\u7684\u6700\u4f73\u5e26\u9699\u8303\u56f4\u5206\u522b\u4e3a1.1-1.7, 1.9-2.3\u548c0.8-1.4 eV\u3002\u5bf9\u4e8e\u6709\u6f5c\u529b\u7684\u5355\u7ed3\u7535\u6c60\u6750\u6599\uff0c0.5\u03bcm\u7684\u8584\u819c\u4e5f\u5177\u6709\u81f3\u5c1122.7\uff05\u7684PV\u6548\u7387\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-173086\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/04\/1.1.jpg\" alt=\"\" width=\"600\" height=\"257\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/04\/1.1.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/04\/1.1-300x129.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>&nbsp;<\/p>\n<p><strong>\u56fe\u4e8c\uff1a\u6750\u6599\u7ec4<\/strong><strong>2<\/strong><strong>\u4e2d\u6750\u6599\u7684\u70ed\u529b\u5b66\u7a33\u5b9a\u6027<\/strong><\/p>\n<p>\u4e3a\u8bc4\u4f30\u6750\u6599\u7ec42\u4e2d\u6240\u6709\u5316\u5408\u7269\u7684\u70ed\u529b\u5b66\u7a33\u5b9a\u6027\uff0c\u4f7f\u7528Pymatgen\u8f6f\u4ef6\u5305\u4e2d\u5305\u542b\u7684\u76f8\u4f4d\u7a33\u5b9a\u5de5\u5177\uff0c\u5728\u5178\u578b\u7684\u592a\u9633\u80fd\u7535\u6c60\u5de5\u4f5c\u6761\u4ef6T=298K\uff0cP\uff08O<sub>2<\/sub>\uff09=0.2atm\uff0c\u76f8\u5bf9\u6e7f\u5ea630%\u4e0b\u8fdb\u884c\u51f8\u5305\u5206\u6790\uff0c\u4ee5\u8ba1\u7b97\u6bcf\u4e2a\u7cfb\u7edf\u51f8\u5305E<sub>hull<\/sub>\u4e0a\u65b9\u7684\u80fd\u91cf\u3002<\/p>\n<p>\u7eff\u8272\u8868\u793aE<sub>hull<\/sub> \u2264 15 meV \u539f\u5b50<sup>\u22121<\/sup>\uff0c\u9ec4\u8272\u8868\u793a15 meV \u539f\u5b50<sup>\u22121 <\/sup>&lt; E<sub>hull<\/sub> \u2264 46 meV \u539f\u5b50<sup>\u22121<\/sup>\uff0c\u7ea2\u8272\u8868\u793aE<sub>hull<\/sub> &gt; 46 meV \u539f\u5b50<sup>\u22121<\/sup><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-173087\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/04\/2.1.jpg\" alt=\"\" width=\"600\" height=\"469\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/04\/2.1.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/04\/2.1-300x235.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>&nbsp;<\/p>\n<p><strong>\u56fe\u4e09\uff1a\u6839\u636e\u4f30\u8ba1\u7684<\/strong><strong>HSE<\/strong><strong>\u5e26\u9699\u8fdb\u884c\u7b5b\u9009<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-173088\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/04\/3.1.jpg\" alt=\"\" width=\"600\" height=\"436\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/04\/3.1.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/04\/3.1-300x218.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>(A-B)\u7a33\u5b9a\u6750\u6599(A)\u548c\u4e9a\u7a33\u5b9a\u6750\u6599(B)\u7684PBE\u5e26\u9699\u76f4\u65b9\u56fe<\/p>\n<p>(C-D)\u7a33\u5b9a\u6750\u6599(C)\u548c\u4e9a\u7a33\u6001\u6750\u6599(D)\u7684HSE\u5e26\u9699\u4f30\u8ba1\u76f4\u65b9\u56fe<\/p>\n<p><strong>\u56fe\u56db\uff1a\u5b9a\u6027\u5316\u5b66\u8d8b\u52bf\u4e0e\u5e26\u9699\u7a33\u5b9a\u6027<\/strong><\/p>\n<p>\u4e3a\u7406\u89e3\u63a7\u5236\u5364\u5316\u7269\u9499\u949b\u77ff\u7684\u5e26\u9699\u548c\u7a33\u5b9a\u6027\u7684\u56e0\u7d20\uff0c\u4f5c\u8005\u7814\u7a76\u4e86\u672c\u5de5\u4f5c\u4e2d\u6240\u6709\u6750\u6599\u7684HSE\u5e26\u9699\u4f30\u8ba1\u503c\u548c\u7a33\u5b9a\u6027\u8ba1\u7b97\u7684\u603b\u4f53\u8d8b\u52bf\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-173089\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/04\/4.1.jpg\" alt=\"\" width=\"600\" height=\"435\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/04\/4.1.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/04\/4.1-300x218.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\u00ad(A-C) \u4f30\u8ba1\u7684HSE\u5e26\u9699\u7684\u6563\u70b9\u56fe\u4e0e\u5364\u5316\u9499\u949b\u77ff\u7684\u8ba1\u7b97\u7a33\u5b9a\u6027\u5206\u4e94\u7c7b\uff1aA\uff09\u6709\u673a\u7eaf\u5408\u91d1\u6750\u6599\u7ec4\u548c\u6709\u673a\u5408\u91d1\u6750\u6599\u7ec4\u3002B\uff09\u65e0\u673a\u7eaf\u548c\u65e0\u673a\u5408\u91d1\u6750\u6599\u7ec4\u3002C) A\uff09\u548cB\uff09\u6709\u673a\/\u65e0\u673a\u5408\u91d1\u6750\u6599\u7ec4\u3002<\/p>\n<p>(D) \u6bcf\u79cd\u6750\u6599\u7ec4\u7684\u8ba1\u7b97\u7a33\u5b9a\u6027\u7684\u5206\u5e03\uff0c\u4f5c\u4e3a\u4e0d\u540cE<sub>hull<\/sub>\u8303\u56f4\u7684\u51fd\u6570\u3002<\/p>\n<p><strong>\u3010\u5c0f\u7ed3\u3011<\/strong><\/p>\n<p>\u4f5c\u8005\u901a\u8fc7\u9ad8\u901a\u91cfDFT\u65b9\u6cd5\u5bfb\u627e\u65e0\u6bd2\u3001\u70ed\u529b\u5b66\u7a33\u5b9a\u4e14\u5728\u592a\u9633\u80fd\u7535\u6c60\u4e2d\u5177\u6709\u6700\u4f73\u5e26\u9699\u7684\u65b0\u578b\u5364\u5316\u7269\u9499\u949b\u77ff\u6750\u6599\u3002\u901a\u8fc7\u5bf91845\u4e2a\u6a21\u62df\u5316\u5408\u7269\u7684\u68c0\u6d4b\uff0c\u53d1\u73b0720(172)\u4e2a\u7a33\u5b9a(\u4e9a\u7a33\u6001)\u5316\u5408\u7269\uff0c\u5728\u7a33\u5b9a(\u4e9a\u7a33\u6001)\u5316\u5408\u7269\u4e2d\u670951(11)\u4e2a\u5316\u5408\u7269\u7684\u5e26\u9699\u5728\u5355\u7ed3\u592a\u9633\u80fd\u7535\u6c60\u7684\u6700\u4f73\u8303\u56f4\u5185\u3002\u5728\u8fd962\u79cd\u5316\u5408\u7269\u4e2d\uff0c\u670932\u79cd\u5316\u5408\u7269\u8ba1\u7b97\u51fa\u4e86\u6700\u4f73\u7684HSE\u5e26\u9699\uff0c \u9884\u6d4b15\u79cd\u5316\u5408\u7269\u5177\u6709\u8f83\u9ad8\u7684\u5149\u4f0f\u6548\u7387\uff0c\u8fd915\u79cd\u6750\u6599\u4e2d\u670913\u79cd\u4ee5\u524d\u6ca1\u6709\u5408\u6210\u548c\u6d4b\u8bd5\u8fc7\u3002\u8fd9\u4e9b\u6570\u636e\u9a71\u52a8\u7684\u7814\u7a76\u4ee5\u53ca\u5bf9\u6700\u6709\u524d\u666f\u5316\u5408\u7269\u6027\u8d28\u7684\u8be6\u7ec6\u7406\u8bba\u548c\u5b9e\u9a8c\u8bc4\u4f30\uff0c\u90fd\u975e\u5e38\u6709\u5e0c\u671b\u5728\u672a\u6765\u7684\u4f4e\u6210\u672c\u3001\u9ad8\u6548\u7387\u592a\u9633\u80fd\u5149\u4f0f\u53d1\u7535\u7684\u4e00\u4ee3\u4e2d\u627e\u51fa\u53ef\u80fd\u4f7f\u7528\u7684\u5019\u9009\u5316\u5408\u7269\u3002<\/p>\n<p>\u6587\u732e\u94fe\u63a5\uff1a<a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/adfm.201804354\">Materials Discovery of Stable and Nontoxic Halide Perovskite Materials for High\u2010Efficiency Solar Cells<\/a> (<em>Adv. Funct. Mater<\/em>, <strong>2019<\/strong>, DOI: 10.1002\/adfm.201804354)<\/p>\n<p>\u672c\u6587\u7531\u5927\u5175\u54e5\u4f9b\u7a3f\u3002<\/p>\n<p>\u6b22\u8fce\u5927\u5bb6\u5230\u6750\u6599\u4eba\u5ba3\u4f20\u79d1\u6280\u6210\u679c\u5e76\u5bf9\u6587\u732e\u8fdb\u884c\u6df1\u5165\u89e3\u8bfb\uff0c\u6295\u7a3f\u90ae\u7bb1\uff1a<a href=\"mailto:tougao@cailiaoren.com\">tougao@cailiaoren.com<\/a>\u3002<\/p>\n<p>\u6295\u7a3f\u4ee5\u53ca\u5185\u5bb9\u5408\u4f5c\u53ef\u52a0\u7f16\u8f91\u5fae\u4fe1\uff1acailiaorenvip<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u3010\u7814\u7a76\u80cc\u666f\u3011 \u5364\u5316\u9499\u949b\u77ff\u539f\u6599\u5ec9\u4ef7\u6613\u5f97\uff0c\u6781\u5176\u5177\u6709\u5546\u4e1a\u5316\u6f5c\u529b\u3002\u4f46\u5927\u591a\u6570\u5364\u5316\u9499\u949b\u77ff\u542b\u6709\u6709\u6bd2\u5143\u7d20\u94c5\uff0c\u5e76\u4e14\u5728\u6f6e\u6e7f\u73af\u5883\u4e2d\u7a33\u5b9a\u6027\u5dee\uff0c\u56e0\u6b64\u5927\u5927\u9650\u5236\u5176\u5546\u4e1a\u5e94\u7528\u3002\u867d\u7136\u5728MAPbI3&#8230;<\/p>\n","protected":false},"author":1004,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[215],"tags":[3991],"class_list":["post-173083","post","type-post","status-publish","format-standard","hentry","category-jiedu","tag-3991"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/173083"}],"collection":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/users\/1004"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=173083"}],"version-history":[{"count":6,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/173083\/revisions"}],"predecessor-version":[{"id":173348,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/173083\/revisions\/173348"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=173083"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=173083"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=173083"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}