{"id":249429,"date":"2023-04-03T06:35:44","date_gmt":"2023-04-02T22:35:44","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=249429"},"modified":"2023-03-31T14:55:39","modified_gmt":"2023-03-31T06:55:39","slug":"inorg-chem-%e5%90%abin2%e7%9a%84%e7%aa%84%e5%b8%a6%e9%9a%99%e6%b0%a7%e5%8c%96%e7%89%a9%e5%8d%8a%e5%af%bc%e4%bd%93%e7%94%a8%e4%ba%8e%e5%85%89%e8%a7%a3%e6%b0%b4%e4%ba%a7%e6%b0%a2%e7%9a%84%e7%ac%ac","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=249429","title":{"rendered":"Inorg. Chem.: \u542bIn2+\u7684\u7a84\u5e26\u9699\u6c27\u5316\u7269\u534a\u5bfc\u4f53\u7528\u4e8e\u5149\u89e3\u6c34\u4ea7\u6c22\u7684\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97"},"content":{"rendered":"

 <\/p>\n

01<\/b><\/strong>\u00a0<\/b><\/strong>\u5bfc\u8bfb<\/b><\/strong><\/p>\n

\u5229\u7528\u592a\u9633\u5149\u5206\u89e3\u6c34\u5236\u6c22\u662f\u672a\u6765\u89e3\u51b3\u80fd\u6e90\u5371\u673a\u7684\u7406\u60f3\u7b56\u7565\u4e4b\u4e00\uff0c\u9009\u62e9\u9ad8\u6548\u7684\u5149\u50ac\u5316\u5242\u81f3\u5173\u91cd\u8981\u3002d10<\/sup>\u91d1\u5c5e\u5982In2<\/sub>O3<\/sub>\uff0cZnO\uff0cZn2<\/sub>GeO4<\/sub>\uff0cGeO2<\/sub>\u7b49\uff0c\u5bfc\u5e26\u5e95\u901a\u5e38\u5448\u73b0\u5f25\u6563\u7684\u7279\u5f81\uff08\u91d1\u5c5e\u5916\u5c42s\u8f68\u9053\u6784\u6210\uff09\uff0c\u8868\u73b0\u51fa\u9ad8\u6548\u7684\u7535\u5b50\u8fc1\u79fb\u80fd\u529b\u3002\u4f46\u8fd9\u7c7b\u6c27\u5316\u7269\u7684\u7981\u5e26\u5bbd\u5ea6\u5f80\u5f80\u8f83\u5927\uff0c\u53ea\u80fd\u5438\u6536\u7d2b\u5916\u5149\uff0c\u9650\u5236\u4e86\u5176\u8fdb\u4e00\u6b65\u7684\u5e94\u7528\u3002<\/p>\n

02<\/b><\/strong>\u00a0<\/b><\/strong>\u6210\u679c\u63a0\u5f71<\/b><\/strong><\/p>\n

\u57fa\u4e8e\u6b64\uff0c\u91cd\u5e86\u79d1\u6280\u5b66\u9662\u738b\u878d\u7b49\u4eba\u62a5\u9053\u4e86\u4e00\u7c7b\u7a84\u5e26\u9699\u7684In2+<\/sup>\u57fa\u91d1\u5c5e\u6c27\u5316\u7269\uff0cPtIn6<\/sub>(GeO4<\/sub>)2<\/sub>O\u548cPtIn6<\/sub>(Ga\/InO4<\/sub>)2<\/sub>\u3002\u4e8c\u4ef7In2+<\/sup>\u6700\u5916\u5c42s\u8f68\u9053\u5177\u6709\u5355\u7535\u5b50\uff0c\u4f46\u8be5\u7c7b\u6c27\u5316\u7269\u5374\u6ca1\u6709\u8868\u73b0\u51fa\u91d1\u5c5e\u6027\uff0c\u53cd\u800c\u5448\u73b0\u51fa\u7a84\u5e26\u9699\u7684\u534a\u5bfc\u4f53\u7279\u5f81\u3002\u7814\u7a76\u6210\u679c\u4ee5\u201cFirst-Principles Calculations on Narrow-Band Gap d10<\/sup>\u00a0Metal Oxides for Photocatalytic H2<\/sub>\u00a0Production: Role of Unusual In2+<\/sup>\u00a0Cations in Band Engineering\u201d\u4e3a\u9898\u76ee\u53d1\u8868\u5728Inorg. Chem.<\/i><\/em>, 2023, doi:10.1021\/acs.inorgchem.3c00859\u4e0a\uff0c\u91cd\u5e86\u7eff\u8272\u667a\u80fd\u6280\u672f\u7814\u7a76\u9662\u6768\u6653\u8f89\u4e3a\u672c\u6587\u5171\u540c\u901a\u8baf\u4f5c\u8005\u3002<\/p>\n

\"\"<\/p>\n

03<\/b><\/strong>\u00a0<\/b><\/strong>\u6838\u5fc3\u521b\u65b0\u70b9<\/b><\/strong><\/p>\n

\u901a\u8fc7\u7406\u8bba\u8ba1\u7b97\u7814\u7a76\u4e86\u534a\u5bfc\u4f53\u6027\u8d28\u7684\u8d77\u6e90\uff1a\u5316\u5b66\u952e\u5206\u6790\u8868\u660e\uff0cIn2+<\/sup>\u548cO2-<\/sup>\u4e4b\u95f4\u901a\u8fc7s-p\u6742\u5316\u5f62\u6210\u53cd\u952e\u8f68\u9053\u5c06\u8fdb\u4e00\u6b65\u548cIn2+<\/sup>\u7a7a\u7684p\u8f68\u9053\u6742\u5316\uff0c\u5e76\u4e14\u7531\u4e8e\u7ed3\u6784\u4e2d\u5b58\u5728PtIn6<\/sub>\u516b\u9762\u4f53\uff0c\u76f8\u90bb\u7684In2+<\/sup>\u548cIn2+<\/sup>\u4e4b\u95f4\u5c06\u4f1a\u8fdb\u4e00\u6b65\u76f8\u4e92\u4f5c\u7528\uff0c\u5f62\u6210\u6700\u7ec8\u7684\u5e26\u8fb9\u7ed3\u6784\u3002\u53d7\u76ca\u4e8e\u8fd9\u79cd\u6210\u952e\u884c\u4e3a\uff0c\u8fd9\u4f7f\u5f97\u5176CBM\u5904\u7684\u7535\u5b50\u4f4d\u4e8eIn6<\/sub>\u7684\u516b\u9762\u4f53\u7a7a\u8154\u5185\uff0c\u8868\u73b0\u51fa\u4e86\u7c7b\u4f3c\u4e8e\u201c\u65e0\u673a\u7535\u5b50\u5316\u5408\u7269\uff08inorganic electrides\uff09\u201d\u7684\u7279\u6027\u3002<\/p>\n

04<\/b><\/strong>\u00a0<\/b><\/strong>\u6570\u636e\u6982\u89c8<\/b><\/strong><\/p>\n

\"\"<\/p>\n

\u56fe1\u00a0PtIn6<\/sub>(GeO4<\/sub>)2<\/sub>O\u548cPtIn6<\/sub>(Ga\/InO4<\/sub>)2<\/sub>\u5e26\u8fb9\u7ed3\u6784\u673a\u7406\u56fe \u00a9\u00a02023 American Chemical Society<\/p>\n

 <\/p>\n

 <\/p>\n

\"\"<\/p>\n

\u56fe2\u00a0PtIn6<\/sub>(GaO4<\/sub>)2<\/sub>\u6676\u4f53\u7ed3\u6784(a), \u7ed3\u6784\u57fa\u5143(b)\uff0c\u539f\u80de\u7ed3\u6784(c)\uff0c\u7b2c\u4e00\u5e03\u91cc\u6e0a\u533a\u8def\u5f84(d) \u00a9\u00a02023 American Chemical Society<\/p>\n

\"\"<\/p>\n

\u56fe3\u00a0PtIn6<\/sub>(GeO4<\/sub>)2<\/sub>O\u548cPtIn6<\/sub>(Ga\/InO4<\/sub>)2<\/sub>\u80fd\u5e26\u7ed3\u6784\u56fe \u00a9\u00a02023 American Chemical Society<\/p>\n

 <\/p>\n

\"\"<\/p>\n

\u56fe4\u00a0PtIn6<\/sub>(GaO4<\/sub>)2<\/sub>\u7684CBM\u7535\u5b50\u4e91\u5bc6\u5ea6\u5206\u5e03\u56fe \u00a9\u00a02023 American Chemical Society<\/p>\n

\"\"<\/p>\n

\u56fe5\u00a0PtIn6<\/sub>(GeO4<\/sub>)2<\/sub>O\u548cPtIn6<\/sub>(Ga\/InO4<\/sub>)2<\/sub>\u7684Bader\u7535\u8377\u4ee5\u53caELF\u5316\u5b66\u952e\u5206\u6790 \u00a9\u00a02023 American Chemical Society<\/p>\n

\"\"<\/p>\n

\u56fe6\u00a0PtIn6<\/sub>(GeO4<\/sub>)2<\/sub>O\u548cPtIn6<\/sub>(Ga\/InO4<\/sub>)2<\/sub>\u7684\u5438\u6536\u5149\u8c31\u548c\u5e26\u8fb9\u4f4d\u7f6e \u00a9\u00a02023 American Chemical Society<\/p>\n

05<\/b><\/strong>\u00a0<\/b><\/strong>\u6210\u679c\u542f\u793a<\/b><\/strong><\/p>\n

\u4f5c\u8005\u901a\u8fc7\u7406\u8bba\u8ba1\u7b97\u63ed\u793a\u4e86PtIn6<\/sub>(GeO4<\/sub>)2<\/sub>O and PtIn6<\/sub>(Ga\/InO4<\/sub>)2<\/sub>\u4e2d\u7a84\u5e26\u9699\u7684\u6210\u56e0\uff0c\u9884\u6d4b\u4e86\u5176\u6210\u4e3a\u9ad8\u6548\u5149\u89e3\u6c34\u5236\u6c22\u50ac\u5316\u5242\u7684\u6f5c\u8d28\uff0c\u5e76\u4e3a\u66f4\u591a\u65b0\u578b\u7684\u9ad8\u6548d10<\/sup>\u91d1\u5c5e\u6c27\u5316\u7269\u5149\u50ac\u5316\u5242\u7684\u8bbe\u8ba1\u548c\u5f00\u53d1\u63d0\u4f9b\u4e86\u501f\u9274\u3002<\/p>\n

 <\/p>\n

\u539f\u6587\u8be6\u60c5\uff1a<\/b><\/strong>First-Principles Calculations on Narrow-Band Gap d10<\/sup>\u00a0Metal Oxides for Photocatalytic H2<\/sub>\u00a0Production: Role of Unusual In2+<\/sup>\u00a0Cations in Band Engineering (Inorg. Chem.<\/i><\/em>, 2023, 10.1021\/acs.inorgchem.3c00859)<\/p>\n

https:\/\/pubs.acs.org\/doi\/10.1021\/acs.inorgchem.3c00859<\/p>\n

\u672c\u6587\u7531\u4f5c\u8005\u4f9b\u7a3f\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"

  01\u00a0\u5bfc\u8bfb \u5229\u7528\u592a\u9633\u5149\u5206\u89e3\u6c34\u5236\u6c22\u662f\u672a\u6765\u89e3\u51b3\u80fd\u6e90\u5371\u673a\u7684\u7406\u60f3\u7b56\u7565\u4e4b\u4e00\uff0c\u9009\u62e9\u9ad8\u6548\u7684\u5149\u50ac\u5316\u5242\u81f3\u5173\u91cd\u8981\u3002d10\u91d1\u5c5e\u5982In2O3\uff0cZnO\uff0cZn2GeO4\uff0cGe…<\/p>\n","protected":false},"author":41672,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[2],"tags":[],"class_list":["post-249429","post","type-post","status-publish","format-standard","hentry","category-keji"],"_links":{"self":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/249429"}],"collection":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/users\/41672"}],"replies":[{"embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=249429"}],"version-history":[{"count":2,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/249429\/revisions"}],"predecessor-version":[{"id":249444,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/249429\/revisions\/249444"}],"wp:attachment":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=249429"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=249429"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=249429"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}