{"id":156353,"date":"2018-10-23T08:00:35","date_gmt":"2018-10-23T00:00:35","guid":{"rendered":"\/\/m.iemloyee.com\/?p=156353"},"modified":"2018-10-24T00:42:28","modified_gmt":"2018-10-23T16:42:28","slug":"%e4%b8%9c%e5%8c%97%e5%b8%88%e8%8c%83%e5%a4%a7%e5%ad%a6%e9%a2%9c%e5%8a%9b%e6%a5%b7j-mater-chem-a%ef%bc%9a-z-scheme-b-%e6%8e%ba%e6%9d%82g-c3n4-sns2%e5%85%89%e5%82%ac%e5%8c%96%e5%89%82%e7%9a%84","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=156353","title":{"rendered":"\u4e1c\u5317\u5e08\u8303\u5927\u5b66\u989c\u529b\u6977J. Mater. Chem. A\uff1a Z-scheme B-\u63ba\u6742g-C3N4\/SnS2\u5149\u50ac\u5316\u5242\u7684\u9ad8\u6548CO2\u8fd8\u539f\u53cd\u5e94\u7684\u5b9e\u9a8c\u53ca\u8ba1\u7b97\u5206\u6790"},"content":{"rendered":"
\u3010\u5f15\u8a00\u3011<\/strong><\/p>\n SnS2<\/sub>\u662f\u4e00\u79cdn\u578b\u534a\u5bfc\u4f53\u5149\u50ac\u5316\u5242\uff0c\u56e0\u5176\u5177\u6709\u5ec9\u4ef7\u3001\u4e30\u5bcc\u3001\u65e0\u6bd2\u4e14\u9002\u5408\u7684\u5e26\u9699\uff08\u7ea62.4 eV\uff09\u800c\u53d7\u5230\u8d8a\u6765\u8d8a\u591a\u7684\u5173\u6ce8\u3002\u5b9e\u9a8c\u548c\u7406\u8bba\u8bc1\u660e\uff0cSnS2<\/sub>\u662f\u6709\u6f5c\u529b\u7684PS II\u66ff\u4ee3\u7269\u4e0eg-C3<\/sub>N4<\/sub>\u7ed3\u5408\uff0c\u53ef\u6709\u6548\u63d0\u9ad8g-C3<\/sub>N4<\/sub>\u7684\u5149\u50ac\u5316\u6027\u80fd\u3002\u6b64\u5916\uff0cg-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u5149\u50ac\u5316\u5242\u662f\u5178\u578b\u7684Z-scheme p-n\u578b\u5f02\u8d28\u7ed3\u6784\u3002Z-scheme p-n\u578b\u5f02\u8d28\u7ed3\u6784\u7684\u4f18\u70b9\u662f\u5149\u751f\u7a7a\u7a74\u7684\u4f20\u8f93\u6bd4n-n\u578b\u5f02\u8d28\u7ed3\u6784\u66f4\u5feb\uff0c\u8fd9\u5bf9\u63d0\u9ad8\u5149\u50ac\u5316\u5242\u7684\u5149\u50ac\u5316\u6d3b\u6027\u975e\u5e38\u91cd\u8981\u3002\u7814\u7a76\u53d1\u73b0B\u63ba\u6742g-C3<\/sub>N4<\/sub>\u662f\u4e00\u79cdp\u578b\u5149\u50ac\u5316\u5242\uff0c\u5176\u5149\u50ac\u5316\u80fd\u529b\u4f18\u4e8eg-C3<\/sub>N4<\/sub>\u3002\u56e0\u6b64\u672c\u6587\u8bbe\u8ba1\u4e86B\u63ba\u6742g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u5f02\u8d28\u7ed3\u6784\uff0c\u5e76\u4e0eg-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u5f02\u8d28\u7ed3\u6784\u76f8\u6bd4\uff0c\u63a2\u7d22\u4e86CO2<\/sub>\u8fd8\u539f\u7684\u5149\u50ac\u5316\u6027\u80fd\u3002<\/p>\n \u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n \u8fd1\u65e5\uff0c\u4e2d\u56fd\u4e1c\u5317\u5e08\u8303\u5927\u5b66<\/strong>\u7684\u989c\u529b\u6977\uff08\u901a\u8baf\uff09<\/strong>\u4f5c\u8005\u7b49\u4eba\uff0c\u901a\u8fc7\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u8ba1\u7b97\u529f\u51fd\u6570\u548c\u7535\u8377\u5bc6\u5ea6\uff0c\u8bc1\u660eg-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u548cB\u63ba\u6742g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u5177\u6709Z-scheme\u5f02\u8d28\u7ed3\u6784\u3002\u4e0eg-C3<\/sub>N4<\/sub>\u76f8\u6bd4\uff0cZ-scheme\u5f02\u8d28\u7ed3\u6784\u5177\u6709\u66f4\u7a84\u7684\u5e26\u9699\u3001\u7ea2\u79fb\u548c\u66f4\u5f3a\u7684\u5149\u5438\u6536\uff0c\u663e\u8457\u63d0\u9ad8\u4e86\u5149\u50ac\u5316\u6d3b\u6027\u3002\u672c\u6587\u901a\u8fc7\u8ba1\u7b97\u83b7\u53d6CO2<\/sub>\u6bcf\u4e2a\u8fd8\u539f\u8fc7\u7a0b\u6b65\u9aa4\u7684\u53cd\u5e94\u81ea\u7531\u80fd\uff0c\u7528\u6765\u8bc4\u4ef7g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u548cB\u63ba\u6742\u7684g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684\u5149\u50ac\u5316\u6d3b\u6027\u3002\u7814\u7a76\u53d1\u73b0\uff1ag-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u50ac\u5316\u7684CO2<\/sub>RR\u4ea7\u7269\u4e3aCH3<\/sub>OH\u548cCH4<\/sub>\uff0c\u4e0e\u5b9e\u9a8c\u543b\u5408\u826f\u597d\uff0c\u901f\u7387\u6d4b\u5b9a\u6b65\u9aa4\u4e3aCO2<\/sub>\u2192COOH*\uff0c\u0394G\u4e3a1.08 eV\u3002\u5bf9\u4e8eB\u63ba\u6742g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684\u6700\u4f73\u8def\u5f84\u662fCO2<\/sub>\u2192COOH*\u2192CO*\u2192HCO*\u2192CHOH*\u2192CH*\u2192CH2<\/sub>*\u2192CH3<\/sub>*\u2192CH4<\/sub>\uff0c\u901f\u7387\u786e\u5b9a\u6b65\u9aa4\u4e3aCH2<\/sub>*\u2192CH3<\/sub>*\uff0c\u0394G\u4e3a0.40 eV\u3002\u7ed3\u679c\u8868\u660e\uff0cB\u63ba\u6742g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684CO2<\/sub>\u8fd8\u539f\u6d3b\u6027\u4f18\u4e8eg-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u3002\u56e0\u6b64\uff0cZ-scheme B-\u63ba\u6742\u7684g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u5f02\u8d28\u7ed3\u6784\u662f\u5c06CO2<\/sub>\u8fd8\u539f\u6210CH4<\/sub>\u7684\u6709\u6548\u50ac\u5316\u5242\u3002\u76f8\u5173\u6210\u679c\u4ee5\u201c<\/strong>A high efficient Z-scheme B-doped g-C3<\/sub>N4<\/sub>\/SnS2<\/sub> photocatalyst for CO2<\/sub> reduction reaction: A computational study<\/strong>\u201d\u4e3a\u9898\u53d1\u8868\u5728Journal of Materials Chemistry A<\/strong>\u4e0a\u3002<\/p>\n \u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n \u56fe<\/strong> 1 Z-scheme<\/strong>\u5149\u50ac\u5316\u53cd\u5e94\u7684\u7535\u5b50\u8f6c\u79fb\u793a\u610f\u56fe<\/strong><\/p>\n \u56fe<\/strong> 2 g-C3<\/sub>N4<\/sub>\/SnS2<\/sub><\/strong>\u3001<\/strong>B<\/strong>\u63ba\u6742<\/strong>g-C3<\/sub>N4<\/sub>\/SnS2<\/sub><\/strong>\u53ca\u5176\u76f8\u5173\u7ed3\u6784\u7684\u793a\u610f\u56fe<\/strong><\/p>\n \uff08a\uff09\u5355\u5c42g-C3<\/sub>N4<\/sub>\u7684\u793a\u610f\u56fe\uff1b<\/p>\n \uff08b\uff09B\u63ba\u6742g-C3<\/sub>N4<\/sub>\u7684\u793a\u610f\u56fe\uff1b<\/p>\n \uff08c\uff09SnS2<\/sub>\u7eb3\u7c73\u7247\u7684\u793a\u610f\u56fe\uff1b<\/p>\n \uff08d\uff09\u5f02\u8d28\u7ed3\u6784g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684\u9876\u89c6\u56fe\uff1b<\/p>\n \uff08e\uff09B\u63ba\u6742g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684\u9876\u89c6\u56fe\uff1b<\/p>\n \uff08f\uff09\u5f02\u8d28\u7ed3\u6784g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684\u4fa7\u89c6\u56fe\uff1b<\/p>\n \uff08g\uff09B\u63ba\u6742g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684\u4fa7\u89c6\u56fe\u3002<\/p>\n \u56fe<\/strong> 3 g-C3<\/sub>N4<\/sub>\/SnS2<\/sub><\/strong>\u548c<\/strong>B<\/strong>\u63ba\u6742<\/strong>g-C3<\/sub>N4<\/sub>\/SnS2<\/sub><\/strong>\u53ca\u5176\u76f8\u5173\u7ed3\u6784\u7684\u80fd\u5e26\u56fe<\/strong><\/p>\n \uff08a\uff09g-C3<\/sub>N4<\/sub>\u7684\u80fd\u5e26\u7ed3\u6784\u56fe\uff1b<\/p>\n \uff08b\uff09B\u63ba\u6742g-C3<\/sub>N4<\/sub>\u7684\u80fd\u5e26\u7ed3\u6784\u56fe\uff1b<\/p>\n \uff08c\uff09SnS2<\/sub>\u7684\u80fd\u5e26\u7ed3\u6784\u56fe\uff1b<\/p>\n \uff08d\uff09g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684\u80fd\u5e26\u7ed3\u6784\u56fe\uff1b<\/p>\n \uff08e\uff09B\u63ba\u6742g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684\u80fd\u5e26\u7ed3\u6784\u56fe\u3002<\/p>\n \u56fe<\/strong> 4 g-C3<\/sub>N4<\/sub>\/SnS2<\/sub><\/strong>\u548c<\/strong>B<\/strong>\u63ba\u6742<\/strong>g-C3<\/sub>N4<\/sub>\/SnS2<\/sub><\/strong>\u53ca\u5176\u76f8\u5173\u7ed3\u6784\u7684<\/strong>PDOS<\/strong>\u56fe<\/strong><\/p>\n \uff08a\uff09g-C3<\/sub>N4<\/sub>\u7684PDOS\u56fe\uff1b<\/p>\n \uff08b\uff09B\u63ba\u6742g-C3<\/sub>N4<\/sub>\u7684PDOS\u56fe\uff1b<\/p>\n \uff08c\uff09SnS2<\/sub>\u7684PDOS\u56fe\uff1b<\/p>\n \uff08d\uff09g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684PDOS\u56fe\uff1b<\/p>\n \uff08e\uff09B\u63ba\u6742g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684PDOS\u56fe\u3002<\/p>\n \u56fe<\/strong> 5 g-C3<\/sub>N4<\/sub><\/strong>\u3001<\/strong>g-C3<\/sub>N4<\/sub>\/SnS2<\/sub><\/strong>\u548c<\/strong>B<\/strong>\u63ba\u6742<\/strong>g-C3<\/sub>N4<\/sub>\/SnS2<\/sub><\/strong>\u7684\u5438\u6536\u5149\u8c31\u56fe<\/strong><\/p>\n \u56fe<\/strong> 6 g-C3<\/sub>N4<\/sub>\/SnS2<\/sub><\/strong>\u548c<\/strong>B<\/strong>\u63ba\u6742<\/strong>g-C3<\/sub>N4<\/sub>\/SnS2<\/sub><\/strong>\u53ca\u5176\u76f8\u5173\u7ed3\u6784\u7684\u529f\u51fd\u6570\u56fe<\/strong><\/p>\n \uff08a\uff09g-C3<\/sub>N4<\/sub>\u7684\u529f\u51fd\u6570\u56fe\uff1b<\/p>\n \uff08b\uff09B\u63ba\u6742g-C3<\/sub>N4<\/sub>\u7684\u529f\u51fd\u6570\u56fe\uff1b<\/p>\n \uff08c\uff09SnS2<\/sub>\u7684\u529f\u51fd\u6570\u56fe\uff1b<\/p>\n \uff08d\uff09g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684\u529f\u51fd\u6570\u56fe\uff1b<\/p>\n \uff08e\uff09B\u63ba\u6742g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u7684\u529f\u51fd\u6570\u56fe\u3002<\/p>\n \u56fe<\/strong> 7 <\/strong>\u6742\u5316<\/strong>HSE06<\/strong>\u65b9\u6cd5\u83b7\u53d6<\/strong>g-C3<\/sub>N4<\/sub>\/SnS2<\/sub><\/strong>\u548c<\/strong>B<\/strong>\u63ba\u6742<\/strong>g-C3<\/sub>N4<\/sub>\/SnS2<\/sub><\/strong>\u7684\u7535\u8377\u5bc6\u5ea6\u5dee\u5f02\u56fe<\/strong><\/p>\n \uff08a\uff09g-C3<\/sub>N4<\/sub>\/SnS2<\/sub>\u5f02\u8d28\u7ed3\u6784\u7684\u7535\u8377\u5bc6\u5ea6\u5dee\u5f02\u56fe\uff1b<\/p>\n \uff08b\uff09B\u63ba\u6742g-C
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