{"id":91308,"date":"2017-07-15T06:30:16","date_gmt":"2017-07-14T22:30:16","guid":{"rendered":"\/\/m.iemloyee.com\/?p=91308"},"modified":"2017-07-14T20:38:05","modified_gmt":"2017-07-14T12:38:05","slug":"%e5%8e%a6%e9%97%a8%e5%a4%a7%e5%ad%a6%e7%a8%8b%e4%bf%8a%e8%af%be%e9%a2%98%e7%bb%84%ef%bc%9a-%e7%ac%ac%e4%b8%80%e6%80%a7%e5%8e%9f%e7%90%86%e8%ae%a1%e7%ae%97%e7%94%b5%e5%8c%96%e5%ad%a6%e6%9c%80%e6%96%b0","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=91308","title":{"rendered":"\u53a6\u95e8\u5927\u5b66\u7a0b\u4fca\u8bfe\u9898\u7ec4\uff1a \u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u7535\u5316\u5b66\u6700\u65b0\u8fdb\u5c55"},"content":{"rendered":"<p><strong>\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n<p>\u53a6\u95e8\u5927\u5b66\u7a0b\u4fca\u6559\u6388\u8bfe\u9898\u7ec4\u5728\u91d1\u5c5e-\u6c34\u754c\u9762\u4e0a\u7684\u7406\u8bba\u8ba1\u7b97\u7814\u7a76\u53d6\u5f97\u91cd\u8981\u8fdb\u5c55\uff0c\u76f8\u5173\u6210\u679c\u4ee5\u201c<strong>Determining Potentials of Zero Charge of Metal versus Standard Hydrogen Electrodes fromDensity-Functional-Theory-Based Molecular Dynamics<\/strong>\u201d\u4e3a\u9898\u53d1\u8868\u5728\u56fd\u9645\u7269\u7406\u5b66\u671f\u520a<strong>Physical\u2002Review\u2002Letters<\/strong>\u4e0a\u3002<\/p>\n<p><strong>\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n<p><strong>\u56fe1\u00a0\u6c34\u5408\u6c22\u79bb\u5b50\u7684\u53bb\u8d28\u5b50\u5316<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-91311\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/07\/001-3.png\" alt=\"\" width=\"406\" height=\"500\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/07\/001-3.png 406w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/07\/001-3-244x300.png 244w\" sizes=\"(max-width: 406px) 100vw, 406px\" \/><\/p>\n<p>\uff08a\uff09\u5728\u754c\u9762\u548c\u7eaf\u6c34\u6a21\u578b\u4e2d\u8ba1\u7b97\u6eb6\u5242\u5316\u6c34\u5408\u6c22\u79bb\u5b50\u53bb\u8d28\u5b50\u5206\u89e3\u81ea\u7531\u80fd\u7684\u8fc7\u7a0b<\/p>\n<p>\uff08b\uff09\u5468\u671f\u754c\u9762\u548c\u7eaf\u6c34\u6a21\u578b\u4e2d\u4f53\u76f8\u6c34\u9759\u7535\u52bf\u5bf9\u7167\u793a\u610f\u56fe<\/p>\n<p><strong>\u56fe2\u00a0\u6c34\u754c\u9762\u6a21\u578b<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-91315\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/07\/002-2.png\" alt=\"\" width=\"442\" height=\"500\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/07\/002-2.png 442w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/07\/002-2-265x300.png 265w\" sizes=\"(max-width: 442px) 100vw, 442px\" \/><\/p>\n<p>\uff08a\uff09Pt\uff08111\uff09-\u6c34\u754c\u9762\u6a21\u578b<\/p>\n<p>\uff08b\uff09\u5728\u7531PBE\u529f\u80fd\u8ba1\u7b97\u7684\u754c\u9762\u5904\u6295\u5c04\u7684Pt\u548c\u6c34\u7684DOS\u56fe<\/p>\n<p><strong>\u3010\u7814\u7a76\u5185\u5bb9\u3011<\/strong><\/p>\n<p>\u91d1\u5c5e-\u6c34\u754c\u9762\u5728\u7535\u5316\u5b66\u53cd\u5e94\u4e2d\u8d77\u5230\u91cd\u5927\u4f5c\u7528\uff0c\u4e3a\u4e86\u80fd\u591f\u76f4\u63a5\u5c06\u91d1\u5c5e-\u6c34\u754c\u9762\u7684\u7406\u8bba\u6a21\u62df\u7ed3\u679c\u4e0e\u5b9e\u9a8c\u6570\u636e\u76f8\u5bf9\u6bd4\uff0c\u5176\u4e2d\u4e00\u4e2a\u4e9f\u5f85\u89e3\u51b3\u7684\u6838\u5fc3\u95ee\u9898\u662f\u5982\u4f55\u51c6\u786e\u8ba1\u7b97\u91d1\u5c5e-\u6c34\u754c\u9762\u7684\u7535\u6781\u7535\u52bf\u3002\u7a0b\u4fca\u6559\u6388\u8bfe\u9898\u7ec4\u8fd1\u51e0\u5e74\u5185\u53d1\u5c55\u7684\u8ba1\u7b97\u6c22\u7535\u6781\u65b9\u6cd5\uff08Cheng et al.\u00a0<em><i>Acc. Chem. Res.,<\/i><\/em>\u00a02014, 47, 3522\uff09\u4ece\u539f\u7406\u4e0a\u8bb2\u53ef\u4ee5\u89e3\u51b3\u8fd9\u4e00\u96be\u9898\uff0c\u4f46\u5b9e\u9645\u64cd\u4f5c\u4e2d\u7531\u4e8e\u8ba1\u7b97\u91d1\u5c5e-\u6c34\u754c\u9762\u4e2d\u7684\u6c34\u5408\u6c22\u79bb\u5b50\u7684\u53bb\u8d28\u5b50\u5316\u80fd\u6240\u9700\u8981\u7684\u8ba1\u7b97\u91cf\u592a\u5927\u800c\u96be\u4ee5\u5b9e\u73b0\u3002\u8fd1\u671f\uff0c\u4ed6\u4eec\u5229\u7528\u91d1\u5c5e-\u6c34\u754c\u9762\u6a21\u578b\u4e2d\u4f53\u76f8\u6c34\u7684\u9759\u7535\u52bf\u4f5c\u4e3a\u4e8c\u6b21\u53c2\u7167\uff0c\u5c06\u91d1\u5c5e-\u6c34\u754c\u9762\u4e2d\u8d28\u5b50\u6eb6\u5242\u5316\u80fd\u7684\u8ba1\u7b97\u8f6c\u5ac1\u4e3a\u4f53\u76f8\u6c34\u8d28\u5b50\u6eb6\u5242\u5316\u80fd\u7684\u8ba1\u7b97\uff0c\u4ece\u800c\u6781\u5927\u5730\u964d\u4f4e\u4e86\u8ba1\u7b97\u6210\u672c\uff0c\u5b9e\u73b0\u5bf9\u91d1\u5c5e\u7535\u6781\u96f6\u7535\u8377\u7535\u52bf\u7684\u7cbe\u786e\u8ba1\u7b97\u3002\u8be5\u65b9\u6cd5\u53ef\u4ee5\u76f4\u63a5\u62d3\u5c55\u5e94\u7528\u5230\u5176\u5b83\u56fa\u6db2\uff08\u5982\u534a\u5bfc\u4f53-\u6c34\uff09\u754c\u9762\u3002\u540c\u65f6\uff0c\u8be5\u5de5\u4f5c\u8fd8\u53d1\u73b0\u754c\u9762\u6c34\u4e0e\u91d1\u5c5e\u8868\u9762\u7684\u4f5c\u7528\u5bfc\u81f4\u7535\u5b50\u4e91\u91cd\u6392\uff0c\u5bf9\u4e8ePt(111)\u9762\uff0c\u8fd9\u4e00\u56e0\u7d20\u53ef\u5bfc\u81f4\u754c\u9762\u7535\u52bf\u53d8\u5316\u8d85\u8fc71 eV\uff0c\u800c\u754c\u9762\u6c34\u7684\u53d6\u5411\u5728\u96f6\u7535\u8377\u7535\u52bf\u4e0b\u5bf9\u4e8e\u754c\u9762\u7535\u52bf\u7684\u53d8\u5316\u8d21\u732e\u975e\u5e38\u5c0f\uff0c\u8fd9\u4e00\u53d1\u73b0\u6539\u53d8\u4e86\u4ee5\u524d\u7535\u5316\u5b66\u5bb6\u5bf9\u4e8e\u754c\u9762\u7535\u52bf\u7684\u901a\u5e38\u8ba4\u77e5\u3002<\/p>\n<p>\u8be5\u7814\u7a76\u5de5\u4f5c\u4e3b\u8981\u7531\u6765\u81ea\u82f1\u56fd\u963f\u4f2f\u4e01\u5927\u5b66\u7684\u8bbf\u95ee\u535a\u58eb\u751f\u4e50\u5bb6\u6ce2\u5728\u7a0b\u4fca\u6559\u6388\u6307\u5bfc\u4e0b\u5b8c\u6210\uff0c\u540c\u65f6\u4e5f\u5f97\u5230\u4e86\u745e\u58eb\u82cf\u9ece\u4e16\u5927\u5b66Marcella Iannuzzi\u535a\u58eb\u548c\u82f1\u56fd\u963f\u4f2f\u4e01\u5927\u5b66Angel Cuesta\u535a\u58eb\u7684\u6280\u672f\u652f\u6301\u548c\u7406\u8bba\u6307\u5bfc\u3002\u8be5\u5de5\u4f5c\u5f97\u5230\u56fd\u5bb6\u81ea\u7136\u79d1\u5b66\u57fa\u91d1\uff08Grants No. 21373166, 21621091\uff09\u548c\u4e2d\u7ec4\u90e8\u9752\u5e74\u5343\u4eba\u8ba1\u5212\u7684\u8d44\u52a9\u3002<\/p>\n<p>\u539f\u6587\u94fe\u63a5\uff1a<a href=\"http:\/\/chem.xmu.edu.cn\/show.asp?id=2223\" target=\"_blank\" rel=\"noopener noreferrer\">http:\/\/chem.xmu.edu.cn\/show.asp?id=2223<\/a>.<\/p>\n<p>\u6587\u732e\u94fe\u63a5\uff1a <a href=\"https:\/\/journals.aps.org\/prl\/abstract\/10.1103\/PhysRevLett.119.016801\" target=\"_blank\" rel=\"noopener noreferrer\">Determining Potentials of Zero Charge of Metal versus Standard Hydrogen Electrodes fromDensity-Functional-Theory-Based Molecular Dynamics<\/a>\uff08Phys. Rev. Lett,2017\uff0cDOI\uff1a10.1103\/PhysRevLett.119.016801\uff09<\/p>\n<p>\u672c\u6587\u7531\u6750\u6599\u4eba\u7f16\u8f91\u90e8Allen\u7f16\u8f91\uff0c<a href=\"\/\/m.iemloyee.com\/25127.html\" target=\"_blank\" rel=\"noopener noreferrer\">\u70b9\u6211\u52a0\u5165\u6750\u6599\u4eba\u7f16\u8f91\u90e8<\/a>\u3002<\/p>\n<p>\u6750\u6599\u6d4b\u8bd5\uff0c\u6570\u636e\u5206\u6790\uff0c\u4e0a<a href=\"http:\/\/www.ceshigu.com\/\" target=\"_blank\" rel=\"noopener noreferrer\">\u6d4b\u8bd5\u8c37<\/a>\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u3010\u6210\u679c\u7b80\u4ecb\u3011 \u53a6\u95e8\u5927\u5b66\u7a0b\u4fca\u6559\u6388\u8bfe\u9898\u7ec4\u5728\u91d1\u5c5e-\u6c34\u754c\u9762\u4e0a\u7684\u7406\u8bba\u8ba1\u7b97\u7814\u7a76\u53d6\u5f97\u91cd\u8981\u8fdb\u5c55\uff0c\u76f8\u5173\u6210\u679c\u4ee5\u201cDetermining Potentials of Zero Cha&#8230;<\/p>\n","protected":false},"author":349,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[2],"tags":[],"class_list":["post-91308","post","type-post","status-publish","format-standard","hentry","category-keji"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/91308"}],"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\/349"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=91308"}],"version-history":[{"count":3,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/91308\/revisions"}],"predecessor-version":[{"id":91536,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/91308\/revisions\/91536"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=91308"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=91308"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=91308"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}