{"id":17930,"date":"2016-06-06T08:00:08","date_gmt":"2016-06-06T00:00:08","guid":{"rendered":"\/\/m.iemloyee.com\/?p=17930"},"modified":"2016-06-05T14:34:22","modified_gmt":"2016-06-05T06:34:22","slug":"nature-chemistry%e5%b1%82%e7%8a%b6%e9%98%b3%e7%a6%bb%e5%ad%90%e6%97%a0%e5%ba%8f%e5%af%8c%e9%94%82%e6%ad%a3%e6%9e%81%e6%9d%90%e6%96%99%e7%9a%84%e6%b0%a7%e7%a6%bb%e5%ad%90%e6%b0%a7%e5%8c%96%e8%bf%98","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=17930","title":{"rendered":"Nature Chemistry:\u5c42\u72b6\u9633\u79bb\u5b50\u65e0\u5e8f\u5bcc\u9502\u6b63\u6781\u6750\u6599\u7684\u6c27\u79bb\u5b50\u6c27\u5316\u8fd8\u539f\u6d3b\u6027\u7684\u7ed3\u6784\u548c\u5316\u5b66\u8d77\u6e90"},"content":{"rendered":"
\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n \u968f\u7740\u9502\u79bb\u5b50\u7535\u6c60\u5728\u4eba\u4eec\u751f\u6d3b\u4e2d\u7684\u5e7f\u6cdb\u5e94\u7528\uff0c\u5bf9\u4e8e\u5176\u80fd\u91cf\u5bc6\u5ea6\u4e5f\u63d0\u51fa\u4e86\u66f4\u9ad8\u7684\u8981\u6c42\u3002\u7136\u800c\uff0c\u7531\u4e8e\u7535\u6781\u6750\u6599\u7684\u539f\u56e0\uff0c\u76ee\u524d\u9502\u79bb\u5b50\u7535\u6c60\u7684\u53d1\u5c55\u5df2\u7ecf\u8fbe\u5230\u4e86\u4e00\u4e2a\u80fd\u91cf\u5bc6\u5ea6\u7684\u9650\u5236\u70b9\uff0c\u4f17\u591a\u7814\u7a76\u8005\u8f6c\u5411\u5728\u56fa\u6001\u7535\u6781\u4e2d\u5bfb\u627e\u65b0\u7684Li+\u548c\u7535\u5b50\u7684\u5bbf\u4f53\u3002\u7814\u7a76\u4eba\u5458\u53d1\u73b0\uff0c\u56fa\u6001\u65f6\u53ef\u9006\u7684\u6c27\u79bb\u5b50\u6c27\u5316\u8fd8\u539f\u53cd\u5e94\u5f80\u5f80\u53ef\u4ee5\u63d0\u4f9b\u8f83\u9ad8\u7684\u80fd\u91cf\u5bc6\u5ea6\uff0c\u8fd9\u4e3b\u8981\u662f\u56e0\u4e3a\u5b83\u5728\u9ad8\u7535\u538b\u4e0b\u53ef\u4ee5\u63d0\u4f9b\u9664\u8fc7\u6e21\u91d1\u5c5e\u7406\u8bba\u8fd8\u539f\u5bb9\u91cf\u5916\u7684\u4e00\u90e8\u5206\u989d\u5916\u5bb9\u91cf\u3002\u76ee\u524d\uff0c\u8fd9\u4e2a\u8fc7\u7a0b\u7684\u7ed3\u6784\u548c\u5316\u5b66\u7684\u6765\u6e90\u8fd8\u4e0d\u662f\u5f88\u660e\u4e86\uff0c\u8fd9\u66f4\u52a0\u963b\u788d\u4e86\u5408\u7406\u8bbe\u8ba1\u66f4\u4f18\u7684\u6b63\u6781\u6750\u6599\u7684\u8fdb\u7a0b\u3002<\/p>\n \u65e5\u524d\uff0c\u6765\u81ea\u9ebb\u7701\u7406\u5de5\u5927\u5b66\u548c\u52a0\u5dde\u5927\u5b66\u4f2f\u514b\u5229\u5206\u6821\u7684\u7814\u7a76\u4eba\u5458\u5bf9\u4e8e\u6c27\u79bb\u5b50\u5468\u56f4\u7279\u5b9a\u7684\u5bcc\u9502\u73af\u5883\u662f\u5982\u4f55\u5f62\u6210\u4e0d\u7a33\u5b9a\u7684\u6c27\u7535\u5b50\uff0c\u5e76\u53c2\u4e0e\u5230\u6b63\u6781\u6750\u6599\u7684\u5b9e\u9645\u5bb9\u91cf\u4e2d\u7684\u8fc7\u7a0b\u8fdb\u884c\u4e86\u6f14\u793a\u3002\u7814\u7a76\u53d1\u73b0\uff1a\u5f00\u53d1Li\u5d4c\u5165\u6b63\u6781\u6750\u6599\u672a\u6742\u5316\u6c27\u6001\u8fd9\u79cd\u673a\u5236\u53ef\u4ee5\u5f97\u5230\u66f4\u9ad8\u7684\u80fd\u91cf\u5bc6\u5ea6\u3002\u6545\u800c\uff0c\u53ef\u4ee5\u4e3a\u8bbe\u8ba1\u9ad8\u80fd\u91cf\u5bc6\u5ea6\u7684\u6b63\u6781\u6750\u6599\u63d0\u4f9b\u4e86\u65b0\u7684\u65b9\u5411\u3002<\/p>\n \u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n \u56fe\u4e00 \u539f\u5b50\u73af\u5883\u5bf9\u4e8e\u9633\u79bb\u5b50\u6df7\u5408\u7684\u5c42\u72b6LiNiO2\u4e2d\u6c27\u79bb\u5b50\u7535\u5b50\u6001\u7684\u5f71\u54cd<\/span><\/strong><\/p>\n a-c\u5206\u522b\u4e3a\u9633\u79bb\u5b50\u6df7\u5408\u7684\u5c42\u72b6LiNiO2\u4e2dO\u79bb\u5b50\u5206\u522b\u4e0e2\u4e2aLi,3\u4e2aNi\u30013\u4e2aLi,3\u4e2aNi\u3001\u4e0e4\u4e2aLi,2\u4e2aNi\u914d\u4f4d\u65f62p\u8f68\u9053\u7684\u6295\u5f71\u6001\u5bc6\u5ea6\uff08pDOS\uff09\uff1b \u56fe\u4e8c\u3000 Li\u2013O\u2013Li\u7ed3\u6784\u5bf9\u4e8e Li2MnO3\u4e2dO\u539f\u5b50\u7535\u5b50\u6001\u7684\u5f71\u54cd<\/strong><\/span><\/p>\n \u56fe\u4e09\u3000\u4e0d\u540c\u7684\u5bcc\u9502\u6750\u6599\u4e2d\uff0cLi\u2013O\u2013Li\u7ed3\u6784\u4e2d\u4f18\u5148\u7684\u6c27\u539f\u5b50\u6c27\u5316\u63d2\u56fe<\/strong><\/span><\/p>\n \u56fe\u56db Li\u2013O\u2013Li \u7ed3\u6784\u4e2d\u4f18\u5148\u6c27\u79bb\u5b50\u6c27\u5316\u7684\u7ed3\u6784\u548c\u5316\u5b66\u6765\u6e90<\/strong><\/span><\/p>\n a:\u5728\u5316\u5b66\u8ba1\u91cf\u7684\u5c42\u72b6\u9502\u91d1\u5c5e\u6c27\u5316\u7269\uff08Li\u2013M\u6c27\u5316\u7269\uff09 \u542b\u6709\u4e09\u4e2aLi\u2013O\u2013M\u7ed3\u6784\u7684\u6c27\u79bb\u5b50\u7684\u539f\u5b50\u914d\u4f4d\u72b6\u51b5;
<\/p>\n
\nd: \u80fd\u91cf\u8303\u56f4\u57280\u5230\u22121.64 eV\u65f6\uff0c\u6c27\u539f\u5b50\u4e0e4\u4e2aLi2\u4e2aNi\u914d\u4f4d\u65f6\uff08\u5982\uff43\u56fe\u6240\u793a\uff09\u7535\u8377\u5bc6\u5ea6\u7684\u7b49\u503c\u9762\uff08\u9ec4\u8272\uff09\u3002<\/p>\n
\na:Li\u2013O\u2013Li\u7ed3\u6784\u5728 Li2MnO3\u4e2d\u7684\u7ed3\u6784\u793a\u610f\u56fe\uff1b
\nb:\u9ed1\u8272\u4ee3\u8868\u7684\u662fO\u539f\u5b502p\u8f68\u9053\u7684pDOS\uff1b\u7ea2\u8272\u4ee3\u8868\u7684\u662fMn\u539f\u5b503d\u8f68\u9053\u7684pDOS\uff1b
\nc:\u80fd\u91cf\u8303\u56f4\u5728 0 to \u22120.9 eV\u65f6\uff0cLi2MnO3\u4e2dO\u79bb\u5b50\u7684\u7535\u8377\u5bc6\u5ea6\u7684\u7b49\u503c\u9762\u3002<\/p>\n
\na-d\u4e3a\u5b8c\u5168\u9502\u5316\u548c\u90e8\u5206\u9502\u5316\u5bcc\u9502\u6750\u6599\u7684\u539f\u5b50\u7ec4\u6210
\na: Li1.17<\/sub>Ni0.25<\/sub>Mn0.58<\/sub>O2<\/sub>,Li0.67<\/sub>Ni0.25<\/sub>Mn0.58<\/sub>O2<\/sub> \u548cLi0.33<\/sub>Ni0.25<\/sub>Mn0.58<\/sub>O2<\/sub> \u4e2d\u6c27\u79bb\u5b50\uff08\u7ea2\u7403\uff09\u81ea\u65cb\u5bc6\u5ea6\u7684\u7b49\u503c\u9762\uff08\u9ec4\u8272\uff09;
\nb: Li2<\/sub>Ru0.5<\/sub>Sn0.5<\/sub>O3<\/sub>, Li1.5<\/sub>Ru0.5<\/sub>Sn0.5<\/sub>O3<\/sub> \u548cLi0.5<\/sub>Ru0.5<\/sub>Sn0.5<\/sub>O3<\/sub> \u4e2d\u6c27\u79bb\u5b50\uff08\u7ea2\u7403\uff09\u81ea\u65cb\u5bc6\u5ea6\u7684\u7b49\u503c\u9762\uff08\u9ec4\u8272\uff09;
\nc: Li1.17<\/sub>Ni0.33<\/sub>Ti0.42<\/sub>Mo0.08<\/sub>O2<\/sub>,Li0.67<\/sub>Ni0.33<\/sub>Ti0.42<\/sub>Mo0.08<\/sub>O2<\/sub> \u548c Li0.33<\/sub>Ni0.33<\/sub>Ti0.42<\/sub>Mo0.08<\/sub>O2<\/sub>\u4e2d\u79bb\u5b50\uff08\u7ea2\u7403\uff09\u81ea\u65cb\u5bc6\u5ea6\u7684\u7b49\u503c\u9762\uff08\u9ec4\u8272\uff09;
\nd: Li1.25<\/sub>Mn0.5<\/sub>Nb0.25<\/sub>O2<\/sub>, Li0.5<\/sub>Mn0.5<\/sub>Nb0.25<\/sub>O2<\/sub> \u548c Li0.25<\/sub>Mn0.5<\/sub>Nb0.25<\/sub>O2<\/sub>\u4e2d\u6c27\u79bb\u5b50\uff08\u7ea2\u7403\uff09
\n\u8bf4\u660e<\/strong><\/span>\uff1a\u91d1\u5c5e\u79bb\u5b50\u5468\u56f4\u7684\u81ea\u65cb\u5bc6\u5ea6\u6ca1\u6709\u7ed8\u51fa\u3002
\n\u9ed1\u8272\u865a\u7ebf\u5706\u5708\uff1a\u8131\u9502\u8fc7\u7a0b\u4e2d\u8131\u51fa\u7684Li\u79bb\u5b50\u3002
\n\u84dd\u8272\u865a\u7ebf\u692d\u5706\u5f62\uff1aLi0.5Ru0.5Sn0.5O3\u4e2d\u7531\u4e8e\u5728\u4e24\u4e2a\u76f8\u90bb\u7684Li\u2013O\u2013Li\u03c3 \u6742\u5316\u5f62\u6210\u7684\u8fc7\u6c27\u5316\u7ed3\u6784\u3002<\/p>\n
<\/p>\n
\nb:\u5728\u5316\u5b66\u8ba1\u91cf\u7684\u5c42\u72b6\u9502\u91d1\u5c5e\u6c27\u5316\u7269\uff0c\u4f8b\u5982LiCoO2\uff0c\u80fd\u5e26\u7ed3\u6784\u793a\u610f\u56fe;
\nc:\u542b\u6709\u4e00\u4e2aLi\u2013O\u2013Li\u6216\u80052\u4e2aLi\u2013O\u2013M\u7ed3\u6784\u7684\u5bcc\u9502\u5c42\u72b6\u6216\u9633\u79bb\u5b50\u6df7\u5408\u7684Li\u2013M\u6c27\u5316\u7269\u4e2d\uff0c\u6c27\u79bb\u5b50\u9644\u8fd1\u7684\u5316\u5b66\u73af\u5883;
\nd:\u5bcc\u9502\u7684\u5c42\u72b6\u9502\u91d1\u5c5e\u6c27\u5316\u7269\uff0c\u4f8b\u5982Li2MnO3\uff0c\u80fd\u5e26\u7ed3\u6784\u793a\u610f\u56fe\u3002<\/p>\n