{"id":168913,"date":"2019-03-11T06:30:21","date_gmt":"2019-03-10T22:30:21","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=168913"},"modified":"2019-03-10T21:53:46","modified_gmt":"2019-03-10T13:53:46","slug":"%e3%80%90%e5%ae%a1%e7%a8%bf%e5%b7%b2%e5%9b%9e%e5%a4%8d%e3%80%91%e5%8a%a0%e5%b7%9e%e5%a4%a7%e5%ad%a6%e6%ac%a7%e6%96%87%e5%88%86%e6%a0%a1phys-rev-lett-%e9%87%91%e5%b1%9e%e8%a1%a8%e9%9d%a2%e5%8d%95","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=168913","title":{"rendered":"\u52a0\u5dde\u5927\u5b66\u6b27\u6587\u5206\u6821Phys. Rev. Lett.: \u91d1\u5c5e\u8868\u9762\u5355\u5206\u5b50\u7684\u5206\u5b50\u952e\u7684\u9009\u62e9\u6027\u5149\u5206\u89e3"},"content":{"rendered":"

\u3010\u5f15\u8a00<\/b><\/strong>\u3011<\/p>\n

\u968f\u7740\u4eba\u4eec\u5bf9\u5149\u5b66\u663e\u5fae\u955c\u7cbe\u5ea6\u7684\u8981\u6c42\u8d8a\u6765\u8d8a\u9ad8\uff0c\u4ee5\u53ca\u5176\u5728\u5206\u5b50\u548c\u4f4e\u7ef4\u6750\u6599\u4e2d\u7684\u5e94\u7528\uff0c\u5927\u5927\u63a8\u52a8\u4e86\u8d85\u8fc7\u884d\u5c04\u6781\u9650\u7684\u6210\u50cf\u6280\u672f\u7684\u53d1\u5c55\u3002\u5982\u679c\u8fbe\u5230\u539f\u5b50\u5c3a\u5ea6\u7684\u5206\u8fa8\u7387\u5219\u53ef\u4ee5\u5b9e\u73b0\u5149\u5b66\u63a2\u6d4b\u7684\u6700\u9ad8\u7a7a\u95f4\u5206\u8fa8\u7387\u3002\u626b\u63cf\u96a7\u9053\u663e\u5fae\u955c\uff08STM\uff09\u53ef\u4ee5\u63d0\u4f9b\u4f4e\u7ef4\u5206\u5b50\u4f53\u7cfb\u76f8\u5173\u7684\u5927\u91cf\u4fe1\u606f\u3002\u9664\u6b64\u4e4b\u5916\uff0cSTM\u5df2\u7ecf\u7528\u4e8e\u8bf1\u5bfc\u548c\u68c0\u6d4b\u5177\u6709\u4e9a\u5206\u5b50\u7cbe\u5ea6\u7684\u8868\u9762\u53cd\u5e94\uff0c\u5b83\u6240\u63d0\u4f9b\u7684\u6570\u636e\u5f88\u5927\u7a0b\u5ea6\u4e0a\u4e30\u5bcc\u5927\u4f17\u7684\u6750\u6599\u6210\u5206\u3001\u5206\u5b50\u7ec4\u7ec7\u3001\u5206\u5b50\u5185\u548c\u5206\u5b50\u95f4\u8026\u5408\u4ee5\u53ca\u5206\u5b50\u7ed3\u6784\u7684\u7406\u89e3\u3002\u5149\u5b50\u6fc0\u53d1\u4e0eSTM\u4e2d\u96a7\u7a7f\u7535\u5b50\u7684\u8026\u5408\u5c06\u5149\u5b66\u6d4b\u91cf\u7684\u4f18\u52bf\u4e0e\u96a7\u7a7f\u7535\u5b50\u7684\u57c3\u7c73\u5206\u8fa8\u7387\u7ed3\u5408\u8d77\u6765\uff0c\u53ef\u4ee5\u7814\u7a76\u5149\u8bf1\u5bfc\u7684\u5316\u5b66\u8fc7\u7a0b\uff0c\u6bd4\u5982\u539f\u5b50\u5c3a\u5ea6\u7684\u5355\u4e2a\u7535\u5b50\u8f6c\u79fb\u548c\u5355\u4e2a\u5206\u5b50\u7684\u6838\u8fd0\u52a8\u3002<\/p>\n

\u78b3\u6c22\u5316\u5408\u7269\u4e2d\u60f0\u6027C-H\u952e\u7684\u53d7\u63a7\u6d3b\u5316\u4e00\u76f4\u662f\u6709\u673a\u5316\u5b66\u4e2d\u7684\u7814\u7a76\u70ed\u70b9\u3002\u5149\u8bf1\u5bfc\u7684C-H\u89e3\u79bb\u5229\u7528\u5149\u7684\u80fd\u91cf\u6765\u6fc0\u6d3b\u70ed\u529b\u5b66\u4e0a\u4e0d\u5229\u7684\u53cd\u5e94\uff0c\u4f46\u8fd9\u4e2a\u95ee\u9898\u4f9d\u7136\u5b58\u5728\u4e00\u4e9b\u6311\u6218\uff0c\u5305\u62ec\u9009\u62e9\u6027\u7684\u89e3\u79bb\u7279\u5b9aC-H\u952e\uff0c\u5c24\u5176\u662f\u5f53\u5206\u5b50\u4e2d\u5305\u542b\u591a\u4e2a\u7b49\u4ef7\u952e\u3002<\/p>\n

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

\u8fd1\u65e5\uff0c\u52a0\u5dde\u5927\u5b66\u6b27\u6587\u5206\u6821<\/b><\/strong>Wilson<\/b><\/strong>\u00a0<\/b><\/strong>Ho<\/b><\/strong>\u00a0<\/b><\/strong>\u4e0e <\/b><\/strong>Ruqian Wu\u6559\u6388\u8bfe\u9898\u7ec4<\/b><\/strong>\u5408\u4f5c\uff0c\u5229\u7528\u5b9e\u9a8c\u548c\u7406\u8bba\u65b9\u6cd5<\/b><\/strong>\u7814\u7a76\u4e86\u5149\u5b50\u8026\u5408\u6765\u6fc0\u6d3b\u5438\u9644\u5728\u94f6\uff08110\uff09\u4e0a\u7684\u7518\u83ca\u73af\u5206\u5b50\u7684C-H\u952e\uff0c\u4ee5\u53ca\u5438\u9644\u5728Cu\uff08001\uff09\u4e0a\u7684\u4e59\u7094\u548c\u4e59\u7094\u81ea\u7531\u57fa\u7684C-H\u952e\uff0c\u4f5c\u8005\u8bc1\u660e\u4e86\u5355\u4e2a\u5206\u5b50\u4e2d\u5355\u4e2aC-H\u952e\u7684\u9009\u62e9\u6027\u89e3\u79bb\u3002\u96a7\u7a7f\u7535\u5b50\u53ef\u4ee5\u4ece\u6fc0\u5149\u5149\u5b50\u83b7\u5f97\u80fd\u91cf\u4ee5\u8bf1\u5bfc\u5355\u4e2a\u5316\u5b66\u952e\u7684\u65ad\u88c2\uff0c\u901a\u8fc7\u6052\u5b9a\u7535\u6d41\u5f62\u8c8c\u548c\u9ad8\u5206\u8fa8\u7387\u975e\u5f39\u6027\u96a7\u9053\u63a2\u9488\u56fe\u50cf\u4e2d\u7684\u5206\u5b50\u7684\u660e\u663e\u53d8\u5316\u53ef\u4ee5\u76d1\u6d4b\u53cd\u5e94\u7684\u8fdb\u884c\u3002\u8be5\u6210\u679c\u4ee5\u9898\u4e3a\u00a0\u201cBond-Selected Photodissociation of Single Molecules Adsorbed on Metal Surfaces\u201d<\/b><\/strong>\u53d1\u8868\u5728Phys. Rev. Lett.<\/b><\/strong>\u4e0a\u3002<\/p>\n

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

\u56fe 1. STM\u8868\u5f81<\/b><\/strong>\u548cDFT\u8ba1\u7b97<\/b><\/strong><\/p>\n

\u00a0\"\"<\/b><\/strong><\/p>\n

(a,b,c,d,e,f).\u5206\u5b50\u5728\u6fc0\u5149\u7167\u5c04\u89e3\u79bb\u524d\u540e\u7684STM\u8868\u5f81<\/p>\n

(b,c,d).\u5206\u5b50\u53ef\u4ee5\u53d8\u6210\u65b0\u6708\u5f62\u72b6<\/p>\n

(f).\u5b8c\u6574\u7684\u5206\u5b50\u548c\u89e3\u79bb\u4ea7\u7269\u7684STM\u56fe\u50cf<\/p>\n

(g-i).\u653e\u5927\u7684STM\u56fe\u50cf\uff08\u5b8c\u6574\u7684\u5206\u5b50\uff0c\u65b0\u6708\u5f62\u7684\u4ea7\u7269\u548c\u82b1\u751f\u5f62\u72b6\u7684\u4ea7\u7269\uff09<\/p>\n

(j-l).\u5b8c\u6574\u5206\u5b50\u548c\u4e24\u4e2a\u4ea7\u7269\u7684itProbe\u56fe\u50cf<\/p>\n

(m-o).\u901a\u8fc7DFT\u8ba1\u7b97\u5f97\u5230\u7684\u5438\u9644\u7ed3\u6784\u7684\u4fef\u89c6\u56fe<\/p>\n

\u56fe 2.\u6052\u9ad8itProbe\u56fe\u50cf\u548cDFT\u8ba1\u7b97<\/b><\/strong><\/p>\n

\"\"<\/p>\n

(a-c).\u5b8c\u6574\u5206\u5b50\u548c\u4ea7\u7269\u7684\u6052\u5b9a\u9ad8\u5ea6\u7684itProbe\u56fe\u50cf\uff0c\u63a2\u9488\u5230\u5206\u5b50\u95f4\u8ddd\u4e3a0.59 \u00c5<\/p>\n

(d-f).\u8ddf(a-c)\u4e00\u6837\uff0c\u63a2\u9488\u5230\u5206\u5b50\u95f4\u8ddd\u4e3a0.72 \u00c5<\/p>\n

(g-i).\u8ddf(a-c)\u4e00\u6837\uff0c\u63a2\u9488\u5230\u5206\u5b50\u95f4\u8ddd\u4e3a0.85\u00c5<\/p>\n

(j-l).DFT\u8ba1\u7b97\u5f97\u5230\u7684\u5b8c\u6574\u5206\u5b50\u548c\u89e3\u79bb\u4ea7\u7269\u7684\u5438\u9644\u7ed3\u6784\u7684\u4fa7\u89c6\u56fe<\/p>\n

\u56fe3.\u5206\u5b50\u7684\u89e3\u79bb\u901f\u7387\u548c\u673a\u7406\u56fe<\/b><\/strong><\/p>\n

\u00a0\"\"<\/b><\/strong><\/p>\n

(a,b).\u5728\u6709\u65e0\u6fc0\u5149\u7167\u5c04\u7684\u60c5\u51b5\u4e0b\uff0c\u5206\u5b50\u7684\u89e3\u79bb\u901f\u7387<\/p>\n

(c-e).STM\u7ed3\u4e2d\u7535\u5b50-\u5149\u5b50\u8026\u5408\u7684\u4e09\u79cd\u673a\u7406\u56fe<\/p>\n

\u56fe4.<\/b><\/strong>DFT\u6a21\u62dfC-H\u952e\u65ad\u88c2\u7684<\/b><\/strong>\u8ba1\u7b97\u7ed3\u679c<\/b><\/strong><\/p>\n

\u00a0\"\"<\/b><\/strong><\/p>\n

(a).\u7518\u83ca\u73af\u5206\u5b50\u548c\u94f6\u80cc\u666f\u7684dI\/dV<\/p>\n

(b).\u5438\u9644\u5728Ag\u4e0a\u7684\u7518\u83ca\u73af\u5206\u5b50\u7684DFT\u7535\u5b50\u7ed3\u6784\u8ba1\u7b97<\/p>\n

(c).DFT\u8ba1\u7b97\u5f97\u5230\u7684\u4e24\u4e2aC-H\u952e\u4f9d\u6b21\u89e3\u79bb\u7684\u6d3b\u5316\u80fd<\/p>\n

(d-e).DFT\u8ba1\u7b97\u5f97\u5230\u7684\u4e2d\u95f4\u4ea7\u7269\u7684\u4fef\u89c6\u56fe\u548c\u4fa7\u89c6\u56fe<\/p>\n

\u3010\u5c0f\u7ed3\u3011<\/b><\/strong><\/p>\n

\u4f5c\u8005\u5728\u8fd9\u4e2a\u5de5\u4f5c\u4e2d\u7814\u7a76\u4e86\u5438\u9644\u5728\u91d1\u5c5e\u8868\u9762\u4e0a\u7684\u5355\u4e2a\u5206\u5b50\u4e2d\u7684C-H\u952e\u7684\u5149\u6d3b\u5316\u3002\u5b9e\u73b0\u5149\u5b50\u548c\u96a7\u7a7f\u7535\u5b50\u7684\u8026\u5408\u53ef\u4ee5\u5728\u4e9a\u5206\u5b50\u5206\u8fa8\u7387\u5185\u7814\u7a76\u5149\u5316\u5b66\u8fc7\u7a0b\u3002\u5728STM\u7ed3\u4e2d\u901a\u8fc7\u7ed3\u5408\u5c40\u57df\u6fc0\u5149\u573a\u548c\u96a7\u7a7f\u7535\u5b50\u53ef\u4ee5\u4f7f\u5f97\u6211\u4eec\u9009\u62e9\u6027\u7684\u7814\u7a76\u5355\u4e2a\u5206\u5b50\u4e2d\u7279\u5b9a\u5316\u5b66\u952e\u7684\u5149\u89e3\u79bb\u3002\u8fd9\u4e2a\u7814\u7a76\u5de5\u4f5c\u4e3a\u5728\u5b9e\u7a7a\u95f4\u53ef\u89c6\u5316\u5149\u5316\u5b66\u8fc7\u7a0b\u63d0\u4f9b\u4e86\u5d2d\u65b0\u7684\u89c6\u91ce\u3002<\/p>\n

Bond-Selected Photodissociation of Single Molecules Adsorbed on Metal Surfaces\u00a0<\/a><\/p>\n

(Phys. Rev. Lett., 2019, DOI: 10.1103\/PhysRevLett.122.077401)<\/p>\n

\u672c\u6587\u7531\u6750\u6599\u4eba\u5b66\u672f\u7ec4tt\u4f9b\u7a3f\uff0c\u6750\u6599\u725b\u6574\u7406\u7f16\u8f91\u3002 \u00a0<\/p>\n

\u6750\u6599\u725b\u7f51\u4e13\u6ce8\u4e8e\u8ddf\u8e2a\u6750\u6599\u9886\u57df\u79d1\u6280\u53ca\u884c\u4e1a\u8fdb\u5c55\uff0c\u8fd9\u91cc\u6c47\u96c6\u4e86\u5404\u5927\u9ad8\u6821\u7855\u535a\u751f\u3001\u4e00\u7ebf\u79d1\u7814\u4eba\u5458\u4ee5\u53ca\u884c\u4e1a\u4ece\u4e1a\u8005\uff0c\u5982\u679c\u60a8\u5bf9\u4e8e\u8ddf\u8e2a\u6750\u6599\u9886\u57df\u79d1\u6280\u8fdb\u5c55\uff0c\u89e3\u8bfb\u9ad8\u6c34\u5e73\u6587\u7ae0\u6216\u662f\u8bc4\u8ff0\u884c\u4e1a\u6709\u5174\u8da3\uff0c\u70b9\u6211\u52a0\u5165\u7f16\u8f91\u90e8\u5927\u5bb6\u5ead\u3002 \u00a0<\/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\u7bb1tougao@cailiaoren.com\u3002<\/p>\n

\u6295\u7a3f\u4ee5\u53ca\u5185\u5bb9\u5408\u4f5c\u53ef\u52a0\u7f16\u8f91\u5fae\u4fe1\uff1acailiaokefu\uff0c\u6211\u4eec\u4f1a\u9080\u8bf7\u5404\u4f4d\u8001\u5e08\u52a0\u5165\u4e13\u5bb6\u7fa4\u3002 \u00a0<\/p>\n","protected":false},"excerpt":{"rendered":"

\u3010\u5f15\u8a00\u3011 \u968f\u7740\u4eba\u4eec\u5bf9\u5149\u5b66\u663e\u5fae\u955c\u7cbe\u5ea6\u7684\u8981\u6c42\u8d8a\u6765\u8d8a\u9ad8\uff0c\u4ee5\u53ca\u5176\u5728\u5206\u5b50\u548c\u4f4e\u7ef4\u6750\u6599\u4e2d\u7684\u5e94\u7528\uff0c\u5927\u5927\u63a8\u52a8\u4e86\u8d85\u8fc7\u884d\u5c04\u6781\u9650\u7684\u6210\u50cf\u6280\u672f\u7684\u53d1\u5c55\u3002\u5982\u679c\u8fbe\u5230\u539f\u5b50\u5c3a\u5ea6\u7684\u5206\u8fa8\u7387\u5219\u53ef\u4ee5\u5b9e\u73b0\u5149\u5b66…<\/p>\n","protected":false},"author":7336,"featured_media":168914,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[215],"tags":[3236],"class_list":["post-168913","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-jiedu","tag-3236"],"_links":{"self":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/168913"}],"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\/7336"}],"replies":[{"embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=168913"}],"version-history":[{"count":4,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/168913\/revisions"}],"predecessor-version":[{"id":169223,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/168913\/revisions\/169223"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/media\/168914"}],"wp:attachment":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=168913"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=168913"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=168913"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}