{"id":150719,"date":"2018-08-21T06:30:09","date_gmt":"2018-08-20T22:30:09","guid":{"rendered":"\/\/m.iemloyee.com\/?p=150719"},"modified":"2018-08-19T23:34:05","modified_gmt":"2018-08-19T15:34:05","slug":"acs-catal-pd-100%e4%b8%8a%e5%8d%95%e5%b1%82%e5%92%8c%e5%a4%9a%e5%b1%82pdo-101%e7%9a%84%e5%9b%ba%e6%9c%89%e8%a1%a8%e9%9d%a2%e5%8f%8d%e5%ba%94%e6%80%a7","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=150719","title":{"rendered":"ACS Catal.: Pd (100)\u4e0a\u5355\u5c42\u548c\u591a\u5c42PdO (101)\u7684\u56fa\u6709\u8868\u9762\u53cd\u5e94\u6027"},"content":{"rendered":"

\u3010\u524d\u8a00\u3011<\/strong><\/p>\n

\u8fc7\u6e21\u91d1\u5c5e\u8868\u9762\u4e0a\u7684CO\u6c27\u5316\u5728\u6c14\u4f53\u51c0\u5316\u548c\u5e9f\u6c14\u4fee\u590d\u4e2d\u8d77\u7740\u6838\u5fc3\u4f5c\u7528\uff0c\u5e76\u4e14\u5df2\u7ecf\u6210\u4e3a\u63ed\u793a\u6c14\u56fa\u76f8\u4e92\u4f5c\u7528\u57fa\u672c\u65b9\u9762\u7684\u539f\u578b\u7cfb\u7edf\uff0c\u7279\u522b\u662f\u91d1\u5c5e\u6c27\u5316\u7269\u7684\u5f62\u6210\u5728\u6c27\u5316\u50ac\u5316\u5e94\u7528\u4e2d\u7684\u4f5c\u7528\u3002\u4f7f\u7528\u539f\u4f4d\u8bca\u65ad\u7684\u7814\u7a76\u8868\u660e\uff0c\u8fc7\u6e21\u91d1\u5c5e\u4e0a\u7684CO\u6c27\u5316\u53d1\u751f\u5728\u4e0d\u540c\u7684\u52a8\u529b\u5b66\u6a21\u5f0f\u4e2d\uff0c\u4f5c\u4e3a\u6e29\u5ea6\u7684\u51fd\u6570\u3002\u5728\u4f4e\u6e29\u4e0b\uff0c\u5438\u9644\u7684CO\u963b\u788dO2<\/sub>\u7684\u89e3\u79bb\u5316\u5b66\u5438\u9644\uff0c\u5e76\u9650\u5236CO\u6c27\u5316\uff0c\u5bfc\u81f4\u6240\u8c13\u7684\u5171\u6291\u5236\u72b6\u6001\u3002\u968f\u7740\u53cd\u5e94\u6e29\u5ea6\u7684\u5347\u9ad8\uff0cCO\u90e8\u5206\u89e3\u5438\uff0c\u5e76\u4e14\u968f\u7740\u6c27\u6c14\u7684\u5438\u9644\u4ee5\u53ca\u50ac\u5316\u8868\u9762\u4ece\u5bccCO\u72b6\u6001\u8f6c\u53d8\u4e3a\u5bccO\u72b6\u6001\uff0cCO\u6c27\u5316\u901f\u7387\u5448\u73b0\u51fa\u7a81\u7136\u589e\u52a0\u3002\u50ac\u5316\u6d3b\u6027\u7684\u5bccO\u8868\u9762\u7684\u6027\u8d28\u5df2\u7ecf\u6210\u4e3a\u7406\u89e3\u6c27\u5316\u50ac\u5316\u5e94\u7528\u7684\u4e00\u4e2a\u4e2d\u5fc3\u95ee\u9898\uff0c\u5e76\u4e14\u8fd8\u6ca1\u6709\u5b8c\u5168\u89e3\u51b3\u3002<\/p>\n

\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n

\u8fd1\u65e5\uff0c\u6765\u81ea\u7f8e\u56fd\u4f5b\u7f57\u91cc\u8fbe\u5927\u5b66\u7684<\/strong>Jason F. Weaver<\/strong>\u6559\u6388<\/strong>\uff08\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba\u5728ACS Catalysis<\/strong>\u4e0a\u53d1\u8868\u6587\u7ae0\uff0c\u9898\u4e3a\uff1aUnderstanding the intrinsic surface reactivity of single and multilayer PdO(101) on Pd(100)<\/strong>\u3002\u4f5c\u8005\u4f7f\u7528\u7a0b\u5e8f\u5347\u6e29\u53cd\u5e94\u5149\u8c31(TPRS)\u548c\u53cd\u5c04\u5438\u6536\u7ea2\u5916\u5149\u8c31(RAIRS)\u5b9e\u9a8c\u4ee5\u53ca\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba(DFT)\u8ba1\u7b97\u7814\u7a76\u4e86CO\u5728Pd (100)\u4e0a\u751f\u957f\u7684\u5355\u5c42\u548c\u591a\u5c42PdO (101)\u4e0a\u7684\u56fa\u6709\u53cd\u5e94\u6027\u3002\u4f5c\u8005\u53d1\u73b0\uff0c\u4e0e\u5355\u5c42PdO (101)\u76f8\u6bd4\uff0cCO\u5728\u591a\u5c42PdO (101)\u4e0a\u7684\u7ed3\u5408\u66f4\u5f3a( ~ 119 vs. 43 kJ\/mol)\uff0c\u5e76\u4e14\u5728TPRS\u5b9e\u9a8c\u4e2d\uff0cCO\u5728\u5355\u5c42PdO (101)\u4e0a\u6c27\u5316\u5f97\u5f88\u5c11\uff0c\u800c\u8fd190 %\u7684\u9971\u548cCO\u5c42\u5728\u591a\u5c42PdO (101)\u4e0a\u6c27\u5316\u3002RAIRS\u8fdb\u4e00\u6b65\u663e\u793a\uff0cCO\u5206\u5b50\u5438\u9644\u5728\u5355\u5c42PdO (101)\/Pd (100)\u7684\u6865\u548c\u9876\u90e8Pdcus<\/sub>\u4f4d\u70b9(\u914d\u4f4d\u4e0d\u9971\u548cPd\u4f4d\u70b9)\u4e0a\uff0c\u800cCO\u4ec5\u7ed3\u5408\u5728\u591a\u5c42PdO (101)\u7684\u9876\u90e8Pdcus<\/sub>\u4f4d\u70b9\u4e0a\u3002DFT\u8ba1\u7b97\u518d\u73b0\u4e86CO\u5728\u591a\u5c42PdO (101)\u4e0a\u66f4\u5f3a\u7684\u7ed3\u5408\u4ee5\u53ca\u89c2\u5bdf\u5230\u7684\u66f4\u4f18\u7684\u7ed3\u5408\u4f4d\u70b9\uff0c\u5e76\u4e14\u63ed\u793a\u4e86\u66f4\u5f3a\u7684\u7ed3\u5408\u5b8c\u5168\u662f\u591a\u5c42PdO (101)\/Pd (100)\u4e0a\u66f4\u9ad8\u7684CO\u6c27\u5316\u6d3b\u6027\u7684\u539f\u56e0\u3002<\/p>\n

\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n

\u56fe1 : LEED\u6a21\u5f0f<\/strong><\/p>\n

\"\"<\/p>\n

a)\u6a21\u578b\u7ed3\u6784\uff0cb)\u6d4b\u91cf\u548cc)\u6a21\u62df(\u221a5\u00d7\u221a5 ) R27\u00b0\u7ed3\u6784\u4e2d\u5355\u5c42PdO (101)\/Pd (100)\u7684LEED\u6a21\u5f0f,d)\u4f53PdO (101)\u7684\u6a21\u578b\u7ed3\u6784\uff0ce)\u5728Pd (100)\u4e0a\u751f\u957f\u7684\u591a\u5c42PdO (101)\u7684LEED\u56fe\u6848\uff0c\u4ee5\u53caf )\u5916\u5ef6\u591a\u5c42PdO (101)\/Pd (100)\u7684\u6a21\u62dfLEED\u56fe\u6848;<\/p>\n

\u56fe 2: TPRS\u56fe<\/strong><\/p>\n

\"\"<\/p>\n

CO\u5728100K\u9971\u548c\u540e\u5355\u5c42PdO(101)\u548cb)\u591a\u5c42PdO(101) (~6.6 ML)\u7684CO (\u7ea2)\u548cCO2<\/sub> (\u9ed1) TPRS \u8ffd\u8e2a\uff1b<\/p>\n

\u56fe3 : RAIR\u5149\u8c31<\/strong><\/p>\n

\"\"<\/p>\n

\u4ecea)\u5355\u5c42PdO (101)\u548cb)\u591a\u5c42PdO (101) (\u7ea66.6 ML )\u83b7\u5f97\u7684RAIR\u5149\u8c31\uff1b<\/p>\n

\u56fe4. PdO (101)\u7535\u8377\u5bc6\u5ea6\u5dee\u56fe<\/strong><\/p>\n

\"\"<\/p>\n

CO\u5728(a)\u5355\u5c42PdO (101)\/Pd (100)\u548c(b)\u591a\u5c42PdO (101)\u9876\u4e0a\u7684\u7535\u8377\u5bc6\u5ea6\u5dee\u56fe\uff1b<\/p>\n

\u56fe5. PdO (101)\u6001\u5bc6\u5ea6<\/strong><\/p>\n

\"\"<\/p>\n

\u5355\u5c42PdO (101)\/Pd (100)\u548c\u591a\u5c42PdO (101)\u76f8\u5bf9\u4e8e\u8d39\u7c73\u80fd\u7ea7\u7684(a) dx<\/sub>2<\/sup>-y<\/sub>2<\/sup>\u548c(b) dyz<\/sub>+dxy<\/sub>\u7684\u6295\u5f71\u6001\u5bc6\u5ea6;<\/p>\n

\u56fe6 : \u80fd\u91cf\u56fe<\/strong><\/p>\n

\"\"<\/p>\n

\u4f7f\u7528PBE\u8ba1\u7b97\u7684\u80fd\u91cf\u56fe\uff0c\u7528\u4e8ea)\u591a\u5c42PdO (101)\u548cb)\u5355\u5c42PdO (101)\/Pd (100)\u4e0a\u7684CO\u6c27\u5316\u3002<\/p>\n

\u56fe7 : PdO (101)\u4e0a\u7684\u521d\u59cbCO\u6c27\u5316\u901f\u7387<\/strong><\/p>\n

\"\"<\/p>\n

\u539f\u59cb\u5355\u5c42(\u84dd\u8272)\u548c\u591a\u5c42(\u7ea2\u8272) PdO (101)\u4e0a\u7684\u521d\u59cbCO\u6c27\u5316\u901f\u7387\uff1b<\/p>\n

\u3010\u603b\u7ed3\u3011<\/strong><\/p>\n

\u603b\u7684\u6765\u8bf4\uff0c\u4f5c\u8005\u7684\u8ba1\u7b97\u8868\u660e\uff0c\u591a\u5c42PdO (101)\u7684\u56fa\u6709CO\u6c27\u5316\u6d3b\u6027\u8fdc\u5927\u4e8e\u5355\u5c42PdO (101)\/Pd (100)\uff0c\u4f46\u662f\u8fd9\u4e24\u79cd\u6c27\u5316\u7269\u90fd\u6709\u671b\u7ef4\u6301\u8d85\u8fc7\u4f20\u8d28\u6781\u9650\u7684CO\u6c27\u5316\u901f\u7387\u3002\u8fd9\u4e9b\u7cfb\u7edf\u4ee3\u8868\u4e86\u4e00\u4e2a\u4f8b\u5b50\uff0c\u5176\u4e2d\u5728\u8d85\u9ad8\u538b\u6761\u4ef6\u4e0b\u6d4b\u91cf\u7684\u56fa\u6709\u53cd\u5e94\u6027\u4e0e\u5728\u9ad8\u538b\u3001\u7a33\u6001\u6761\u4ef6\u4e0b\u89c2\u5bdf\u5230\u7684\u660e\u663e\u4e0d\u540c\u3002\u4f5c\u8005\u63d0\u51fa\u7531\u4e8e\u8d28\u91cf\u4f20\u8f93\u7684\u9650\u5236\uff0c\u8fd9\u4e24\u9879\u7814\u7a76\u53ef\u4ee5\u534f\u8c03\uff0c\u4f46\u662f\u4f5c\u8005\u6ce8\u610f\u5230\uff0c\u6c27\u5316\u819c\u4e0a\u5b8c\u6574\u7684Mars – van Krevelen\u53cd\u5e94\u5e8f\u5217\u7684\u7ec6\u8282\u9700\u8981\u66f4\u8be6\u7ec6\u5730\u5efa\u6a21\uff0c\u4ee5\u5efa\u7acb\u8d28\u91cf\u8f6c\u79fb\u3001\u8868\u9762\u6216\u8868\u9762\u9644\u8fd1\u7684\u53cd\u5e94\u6761\u4ef6\u4ee5\u53ca\u8868\u9762\u53cd\u5e94\u52a8\u529b\u5b66\u4e4b\u95f4\u7684\u590d\u6742\u76f8\u4e92\u4f5c\u7528\u3002\u672c\u7814\u7a76\u5f3a\u8c03\u4e86\u8d85\u9ad8\u538b\u6d4b\u91cf\u5bf9\u4e8e\u6d4b\u8bd5DFT\u8ba1\u7b97\u548c\u6700\u7ec8\u53d1\u5c55\u8868\u9762\u50ac\u5316\u7cbe\u786e\u539f\u5b50\u7ea7\u63cf\u8ff0\u7684\u91cd\u8981\u4f5c\u7528\uff0c\u4ee5\u53ca\u5728\u6a21\u62dfCO\u6c27\u5316\u50ac\u5316\u8fc7\u7a0b\u4e2d\u8003\u8651\u5916\u90e8\u8d28\u91cf\u4f20\u8f93\u7684\u5fc5\u8981\u6027\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/strong>Understanding the intrinsic surface reactivity of single and multilayer PdO(101) on Pd(100)<\/a>, (ACS Catalysis, 2018, DOI: 10.1021\/acscatal.8b02191)<\/p>\n

\u672c\u6587\u7531\u6750\u6599\u4eba\u7535\u5b50\u7535\u5de5\u5b66\u672f\u7ec4Z. Chen\u4f9b\u7a3f\uff0c\u6750\u6599\u725b\u6574\u7406\u7f16\u8f91\u3002<\/p>\n

\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\uff1atougao@cailiaoren.com\u3002<\/p>\n

\u6295\u7a3f\u4ee5\u53ca\u5185\u5bb9\u5408\u4f5c\u53ef\u52a0\u7f16\u8f91\u5fae\u4fe1\uff1acailiaokefu<\/p>\n","protected":false},"excerpt":{"rendered":"

\u3010\u524d\u8a00\u3011 \u8fc7\u6e21\u91d1\u5c5e\u8868\u9762\u4e0a\u7684CO\u6c27\u5316\u5728\u6c14\u4f53\u51c0\u5316\u548c\u5e9f\u6c14\u4fee\u590d\u4e2d\u8d77\u7740\u6838\u5fc3\u4f5c\u7528\uff0c\u5e76\u4e14\u5df2\u7ecf\u6210\u4e3a\u63ed\u793a\u6c14\u56fa\u76f8\u4e92\u4f5c\u7528\u57fa\u672c\u65b9\u9762\u7684\u539f\u578b\u7cfb\u7edf\uff0c\u7279\u522b\u662f\u91d1\u5c5e\u6c27\u5316\u7269\u7684\u5f62\u6210\u5728\u6c27\u5316\u50ac\u5316\u5e94\u7528\u4e2d\u7684\u4f5c…<\/p>\n","protected":false},"author":3029,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[215],"tags":[],"class_list":["post-150719","post","type-post","status-publish","format-standard","hentry","category-jiedu"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/150719"}],"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\/3029"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=150719"}],"version-history":[{"count":5,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/150719\/revisions"}],"predecessor-version":[{"id":151440,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/150719\/revisions\/151440"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=150719"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=150719"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=150719"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}