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\"\"<\/p>\n

\u56fe6. DFT\u8ba1\u7b97\u591a\u786b\u5316\u9502(Li2<\/sub>Sn<\/sub>, n = 2~6)\u5728Mo(110)\u8868\u9762\u4e0a\u7684\u7ed3\u5408\u7ed3\u6784<\/p>\n

\u6b64\u5916\uff0c\u6211\u4eec\u8fd8\u7814\u7a76\u4e86Co\/Li2<\/sub>S\u548cMn\/Li2<\/sub>S\u548cZn\/Li2<\/sub>S\u7535\u5316\u5b66\u6027\u80fd\u3002Co\/Li2<\/sub>S\u3001Mn\/Li2<\/sub>S\u548cZn\/Li2<\/sub>S\u5728\u5404\u81ea\u7684\u622a\u6b62\u7535\u52bf\u4e0b\u53ef\u63d0\u4f9b\u8d85\u8fc71000 mAh\/g\u7684\u5145\u7535\u6bd4\u5bb9\u91cf\u3002\u4f46\u5b83\u4eec\u4e0eTi\/Li2<\/sub>S\u548c\u7eafLi2<\/sub>S\u76f8\u4f3c\uff0c\u5145\u7535\u7535\u538b\u5747\u5927\u4e8e3 V\u3002\u4f46Co\/Li2<\/sub>S\u3001Mn\/Li2<\/sub>S\u3001Zn\/Li2<\/sub>S\u5728\u653e\u7535\u8fc7\u7a0b\u4e2d\u7684\u653e\u7535\u6bd4\u5bb9\u91cf\u53ef\u4ee5\u5c0f\u5230\u5ffd\u7565\u4e0d\u8ba1\u3002\u4e3a\u4e86\u7814\u7a76\u5b9e\u9645\u7684\u7535\u5316\u5b66\u8fc7\u7a0b\uff0c\u6211\u4eec\u6536\u96c6\u4e86\u7b2c\u4e00\u6b21\u5145\u7535\u540e\u7684\u7535\u6781\u6750\u6599\uff0c\u5e76\u7528HEXRD\u8fdb\u884c\u4e86\u8868\u5f81\u3002\u6839\u636e\u56fe7d\u2013f\u4e2d\u7684HEXRD\u56fe\u6848\uff0c\u6211\u4eec\u63a8\u6d4bCo\u3001Mn\u548cZn\u5728\u5145\u7535\u8fc7\u7a0b\u4e2d\u5177\u6709\u7535\u5316\u5b66\u6d3b\u6027\uff0c\u8fd9\u4e0eW\u3001Mo\u548cTi\u7684\u60f0\u6027\u6709\u5f88\u5927\u4e0d\u540c\u3002\u968f\u540e\uff0c\u901a\u8fc7\u5c06Co2+<\/sup>\u3001Mn2+<\/sup>\u548cZn2+<\/sup>\u4e0eS2-<\/sup>\u7ed3\u5408\u6765\u5f62\u6210\u91d1\u5c5e\u786b\u5316\u7269\u3002\u9664Co\u3001Mn\u548cZn\u5916\uff0c\u90e8\u5206S2-<\/sup>\u4e5f\u88ab\u6c27\u5316\uff0c\u5f62\u6210\u56fe7g\u2013i\u6240\u793a\u7684PS\u3002\u867d\u7136\u5f15\u5165Co\u3001Mn\u6216Zn\u4e0eLi2<\/sub>S\u7684\u590d\u5408\u6750\u6599\u4f5c\u4e3a\u7535\u6781\u6750\u6599\u5bf9\u7535\u6c60\u7684\u7535\u5316\u5b66\u6027\u80fd\u6ca1\u6709\u4efb\u4f55\u597d\u5904\u3002\u4f46\u662f\uff0c\u8fd9\u4e00\u7ed3\u679c\u5e76\u4e0d\u610f\u5473\u7740Co\/Li2<\/sub>S\u3001Mn\/Li2<\/sub>S\u3001Zn\/Li2<\/sub>S\u662f\u5b8c\u5168\u6ca1\u6709\u4ef7\u503c\u7684\u3002\u76f8\u53cd\uff0cCo\/Li2<\/sub>S\u3001Mn\/Li2<\/sub>S\u6216Zn\/Li2<\/sub>S\u53ef\u4ee5\u4f5c\u4e3a\u7406\u60f3\u7684\u6b63\u6781\u7684\u9884\u9502\u5316\u5242\u6765\u8865\u507f\u9502\u5728\u5168\u7535\u6c60\u4e2d\u7684\u4efb\u4f55\u635f\u5931\u3002<\/p>\n

\"\"<\/p>\n

\u56fe7. \u57280.1C\u7684\u7535\u6d41\u5bc6\u5ea6\u4e0b\uff0c\u7b2c\u4e00\u4e2a\u5faa\u73af\u4e2d (a) Li2<\/sub>S\/Co,( b) Li2<\/sub>S\/Mn, (c) Li2<\/sub>S\/Zn\u7684\u6052\u7535\u6d41\u5145\u653e\u7535\u66f2\u7ebf; (d) Li2<\/sub>S\/Co,\uff08e) Li2<\/sub>S\/Mn,\uff08f) Li2<\/sub>S\/Zn\u7535\u6781\u6750\u6599\u5728\u7b2c\u4e00\u6b21\u5145\u7535\u540e\u7684\u539f\u4f4dHEXRD\u7ed3\u679c; \u901a\u8fc7\u6570\u7801\u76f8\u673a\u62cd\u6444(g)Li2<\/sub>S\/Co, (h)Li2<\/sub>S\/Mn\uff0c\u548c(i) Li2<\/sub>S\/Zn\u4e0e\u7535\u89e3\u6db2\u7684\u56fe\u7247<\/p>\n

\u3010\u603b\u7ed3\u4e0e\u5c55\u671b\u3011<\/strong><\/p>\n

\u7efc\u4e0a\u6240\u8ff0\uff0c\u8fd9\u662f\u9996\u6b21\u901a\u8fc7\u9502\u70ed\u8fd8\u539f\u53cd\u5e94\u5408\u6210Li2<\/sub>S\/TM\u7eb3\u7c73\u590d\u5408\u6750\u6599\uff0c\u5e76\u7cfb\u7edf\u7814\u7a76\u4e86TM\u5bf9Li2<\/sub>S\u7535\u5316\u5b66\u884c\u4e3a\u7684\u5f71\u54cd\u3002Li\u7c89\u4e0e\u5404\u79cd\u91d1\u5c5e\u786b\u5316\u7269\u524d\u9a71\u4f53\u53cd\u5e94\uff0cNi\u3001Fe\u3001Cu\u5728Li2<\/sub>S\/Ni\u3001Li2<\/sub>S\/Fe\u3001Li2<\/sub>S\/Cu\u4e2d\u56e2\u805a\u6210\u6781\u5177\u97e7\u6027\u7684\u91d1\u5c5e\u5757\uff0cTMs\u5219\u5747\u5300\u5206\u5e03\u5728Li2<\/sub>S\/Co\u3001Li2<\/sub>S\/Mn\u3001Li2<\/sub>S\/Zn\u3001Li2<\/sub>S\/Mo\u3001Li2<\/sub>S\/W\u3001Li2<\/sub>S\/Ti\u7684Li2<\/sub>S\u57fa\u4f53\u4e2d\u3002\u5c3d\u7ba1\u7ed3\u6784\u76f8\u4f3c\uff0c\u4f46\u8fd9\u4e24\u79cd\u7eb3\u7c73\u590d\u5408\u6750\u6599\u7684\u7535\u5316\u5b66\u884c\u4e3a\u4e0d\u540c\u3002\u4e0e\u539f\u59cbLi2<\/sub>S\u76f8\u6bd4\uff0c\u7531\u4e8e\u5f62\u6210\u4e86TM-S\u952e\uff0cLi2<\/sub>S\/W\u3001Li2<\/sub>S\/Mo\u548cLi2<\/sub>S\/Ti\u7684\u6d3b\u5316\u7535\u4f4d\u663e\u8457\u964d\u4f4e\u3002\u4e0e\u7eafLi2<\/sub>S\u76f8\u6bd4\uff0c\u5176\u500d\u7387\u6027\u80fd\u548c\u5faa\u73af\u6027\u80fd\u4e5f\u6709\u4e86\u663e\u8457\u63d0\u9ad8\u3002\u8fd9\u4e3b\u8981\u662f\u7531\u4e8eTMs\u4e0ePS\u4e4b\u95f4\u7684\u7535\u5b50\/\u79bb\u5b50\u7535\u5bfc\u7387\u63d0\u9ad8\uff0c\u4ee5\u53ca\u8f83\u5f3a\u7684\u5316\u5b66\u5438\u9644\u4f5c\u7528\u6240\u81f4\u3002\u4e0eLi2<\/sub>S\/W\u3001Li2<\/sub>S\/Mo\u3001Li2<\/sub>S\/Ti\u4e0d\u540c\uff0c\u5728Li2<\/sub>S\u57fa\u4f53\u4e2d\u5f15\u5165Co\u3001Mn\u3001Zn\u4f7f\u5f97\u53ef\u9006\u7684Li2<\/sub>S\u7535\u5316\u5b66\u8def\u5f84\u4e0d\u53ef\u9006\u3002\u4e5f\u5c31\u662f\u8bf4\uff0cLi2<\/sub>S\u53ea\u4f1a\u6c27\u5316\u6210\u591a\u786b\u5316\u7269\uff0c\u800c\u4e0d\u4f1a\u6c27\u5316\u6210\u5355\u8d28S\uff0c\u5728\u6700\u7ec8\u4ea7\u7269\u4e2d\u53d1\u73b0\u76f8\u5e94\u7684\u91d1\u5c5e\u786b\u5316\u7269\u3002\u56e0\u6b64\uff0cLi2<\/sub>S\/Co\u3001Li2<\/sub>S\/Mn\u548cLi2<\/sub>S\/Zn\u53ef\u4ee5\u4f5c\u4e3a\u9884\u9502\u5316\u5242\uff0c\u800c\u4e0d\u662f\u6d3b\u6027\u7535\u6781\u6750\u6599\u3002\u6211\u4eec\u7684\u53d1\u73b0\u5bf9\u5236\u5907\u65b0\u578bLi2<\/sub>S\u57fa\u6b63\u6781\u6750\u6599\u5177\u6709\u6307\u5bfc\u610f\u4e49\u3002<\/p>\n

\u9648\u5fe0\u4f1f\u6559\u6388<\/strong>\uff1a\u52a0\u62ff\u5927\u6ed1\u94c1\u5362\u5927\u5b66\u5316\u5b66\u5de5\u7a0b\u7cfb\u6559\u6388\uff0c\u6ed1\u94c1\u5362\u5927\u5b66\u7535\u5316\u5b66\u80fd\u6e90\u4e2d\u5fc3\u4e3b\u4efb\uff0c\u52a0\u62ff\u5927\u56fd\u5bb6\u9996\u5e2d\u79d1\u5b66\u5bb6(CRC-Tier 1), \u56fd\u9645\u7535\u5316\u5b66\u80fd\u6e90\u79d1\u5b66\u9662\u526f\u4e3b\u5e2d\uff0c\u52a0\u62ff\u5927\u7687\u5bb6\u79d1\u5b66\u9662\u9662\u58eb\uff0c\u52a0\u62ff\u5927\u5de5\u7a0b\u9662\u9662\u58eb\uff0c\u5165\u9009\u5168\u7403\u9ad8\u88ab\u5f15\u79d1\u5b66\u5bb6\u3002\u9648\u5fe0\u4f1f\u9662\u58eb\u5e26\u9886\u4e00\u652f\u7ea670\u4eba\u7684\u7814\u7a76\u56e2\u961f\u5e38\u5e74\u81f4\u529b\u4e8e\u71c3\u6599\u7535\u6c60\uff0c\u91d1\u5c5e\u7a7a\u6c14\u7535\u6c60\uff0c\u9502\u79bb\u5b50\u7535\u6c60\uff0c\u9502\u786b\u7535\u6c60\uff0c\u9502\u7845\u7535\u6c60\uff0c\u6db2\u6d41\u7535\u6c60\u7b49\u50a8\u80fd\u5668\u4ef6\u7684\u7814\u53d1\u548c\u4ea7\u4e1a\u5316\u3002\u8fd1\u5e74\u6765\u5728Nat. Energy, Nat. Nanotech., Nat. Commun., Angew. Chem., Adv. Mater., Energy. Environ. Sci., ACS Nano \u7b49\u56fd\u9645\u77e5\u540d\u671f\u520a\u53d1\u8868\u8bba\u6587300\u4f59\u7bc7\u3002\u76ee\u524d\u4e3a\u6b62\uff0c\u6587\u7ae0\u5df2\u5f15\u7528\u6b21\u6570 28500\u4f59\u6b21, H-index \u6307\u6570\u4e3a83\uff0c\u5e76\u62c5\u4efbACS applied & Material Interfaces\u526f\u4e3b\u7f16\u3002<\/p>\n

\u6587\u7ae0\u94fe\u63a5\uff1a Zhenyu Xing, Guoqiang Tan, Yifei Yuan, Bao Wang, Lu Ma, Jing Xie, Zesheng Li, Tianpin Wu, Yang Ren, Reza Shahbazian-Yassar, Jun Lu,* Xiulei Ji,* and Zhongwei Chen. Consolidating Lithiothermic-Ready Transition Metals for Li2<\/sub>S-Based Cathodes. Adv. Mater. 2020, 002403.doi\uff1a10.1002\/adma.202002403<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

\u3010\u80cc\u666f\u4ecb\u7ecd\u3011 \u76ee\u524d\uff0c\u57fa\u4e8e\u62d3\u6251\u5d4c\u5165\u53cd\u5e94\u7684\u9502\u79bb\u5b50\u7535\u6c60\u4e3b\u5bfc\u7740\u4fbf\u643a\u5f0f\u7535\u5b50\u4ea7\u54c1\u548c\u7535\u52a8\u6c7d\u8f66\u5e02\u573a\u3002\u7136\u800c\uff0c\u9502\u79bb\u5b50\u7535\u6c60\u7684\u80fd\u91cf\u5bc6\u5ea6\u6b63\u63a5\u8fd1\u6781\u9650\uff0c\u4e3a\u4e86\u8ffd\u6c42\u66f4\u9ad8\u7684\u80fd\u91cf\u5bc6\u5ea6\uff0c\u7814\u7a76\u8005\u4eec\u5f00\u59cb\u5c06…<\/p>\n","protected":false},"author":7084,"featured_media":204636,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[215],"tags":[18],"class_list":["post-204635","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-jiedu","tag-xinnengyuan"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/204635"}],"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\/7084"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=204635"}],"version-history":[{"count":4,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/204635\/revisions"}],"predecessor-version":[{"id":204774,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/204635\/revisions\/204774"}],"wp:featuredmedia":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/media\/204636"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=204635"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=204635"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=204635"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}