{"id":170108,"date":"2019-03-24T06:30:38","date_gmt":"2019-03-23T22:30:38","guid":{"rendered":"\/\/m.iemloyee.com\/?p=170108"},"modified":"2019-03-23T21:37:27","modified_gmt":"2019-03-23T13:37:27","slug":"%e3%80%90%e9%80%9a%e8%ae%af%e4%bd%9c%e8%80%85%e4%b8%ba%e5%9b%bd%e5%a4%96%e6%9c%aa%e6%a0%a1%e7%a8%bf%e3%80%91angew-chem-%ef%bc%9a%e9%80%9a%e8%bf%87%e5%88%86%e5%ad%90%e5%8a%a8%e5%8a%9b%e5%ad%a6","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=170108","title":{"rendered":"Angew. Chem.\uff1a\u901a\u8fc7\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u63ed\u793a\u94f6\u7684\u9508\u8680\u673a\u5236"},"content":{"rendered":"<p>\u3010\u5f15\u8a00\u3011<\/p>\n<p>\u94f6\u88ab\u7528\u4f5c\u827a\u672f\u548c\u73e0\u5b9d\u88c5\u9970\u5df2\u6709\u51e0\u5343\u5e74\u7684\u5386\u53f2\uff0c\u800c\u4eca\u8fd8\u88ab\u5e7f\u6cdb\u5e94\u7528\u4e8e\u50ac\u5316\u3001\u7535\u5b50\u8bbe\u5907\u548c\u5c40\u57df\u8868\u9762\u7b49\u79bb\u6fc0\u5143\u7eb3\u7c73\u82af\u7247\u7b49\u91cd\u8981\u6280\u672f\u88c5\u5907\u4e2d\uff0c\u5176\u4e2d\u5b58\u5728\u4e00\u4e2a\u666e\u904d\u95ee\u9898\u2014\u2014\u94f6\u7684\u8150\u8680\uff0c\u5176\u65e9\u671f\u9636\u6bb5\u88ab\u79f0\u4e3a\u201c\u9508\u8680\uff08tarnishing\uff09\u201d\u3002\u5728\u7535\u5b50\u4ea7\u4e1a\u4e2d\uff0c\u94f6\u88ab\u7528\u4f5c\u5370\u5237\u7535\u8def\u677f\u7684\u8868\u9762\u9540\u5c42\u6750\u6599\uff0c\u8d77\u56fa\u5b9a\u7535\u5b50\u5143\u4ef6\u3001\u5e76\u5c06\u5143\u4ef6\u7ec4\u88c5\u5230\u5370\u5237\u7535\u8def\u677f\u4e0a\u7684\u4f5c\u7528\uff0c\u56e0\u6b64\u94f6\u8150\u8680\u81f3\u5173\u91cd\u8981\u3002\u5370\u5237\u7535\u8def\u677f\u66b4\u9732\u5728\u7a7a\u6c14\u5e94\u7528\u65f6\uff0c\u53d1\u751f\u94f6\u8150\u8680\u76f8\u5173\u7684\u5931\u6548\u4e8b\u4ef6\u5df2\u7ecf\u662f\u666e\u904d\u73b0\u8c61\uff0c\u662f\u4e00\u9879\u7ecf\u6d4e\u8d1f\u62c5\u4e5f\u5173\u7cfb\u5230\u7535\u5b50\u4ea7\u54c1\u7684\u6548\u80fd\u53ca\u53ef\u9760\u6027\u3002<\/p>\n<p>\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/p>\n<p>\u8fd1\u65e5\uff0c<strong>\u7231\u5c14\u5170\u90fd\u67cf\u6797\u5723\u4e09\u4e00\u5927\u5b66<\/strong><strong>\/<\/strong><strong>\u610f\u5927\u5229\u7406\u5de5\u5b66\u9662<\/strong>\u7684<strong>Gabriele Saleh<\/strong><strong>\u535a\u58eb<\/strong>\u5728<strong>Angewandte Chemie<\/strong>\u4e0a\u53d1\u8868\u4e86\u9898\u4e3a\u201c<strong>Silver Tarnishing Mechanism Revealed by Molecular Dynamics Simulations<\/strong>\u201d\u7684\u6587\u7ae0\u3002\u8be5\u7bc7\u6587\u7ae0\u901a\u8fc7\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u63ed\u793a\u4e86\u94f6-\u6c27\u548c\u94f6-\u786b\u53cd\u5e94\u7684\u673a\u5236\uff0c\u5efa\u7acb\u53cd\u5e94\u7acb\u573a\uff0c\u5bf9\u91cf\u5b50\u5316\u5b66\u7ed3\u679c\u5c55\u5f00\u4e86\u5e7f\u6cdb\u7684\u6d4b\u8bd5\u3002Ag-O\u548cAg-S\u4e4b\u95f4\u51fa\u73b0\u4e86\u4e0d\u540c\u7684\u53cd\u5e94\u673a\u5236\u548c\u53cd\u5e94\u901f\u7387\u3002\u8be5\u7814\u7a76\u89e3\u51b3\u4e86\u201c\u4e3a\u4ec0\u4e48\u66b4\u9732\u5728\u73af\u5883\u4e2d\u7684\u94f6\u6781\u6613\u88ab\u786b\u8150\u8680\uff0c\u548c\u6c27\u6c14\u5374\u51e0\u4e4e\u4e0d\u53d1\u751f\u53cd\u5e94\u201d\u8fd9\u4e00\u957f\u671f\u56f0\u6270\u4eba\u4eec\u7684\u95ee\u9898\u3002<\/p>\n<p>\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/p>\n<p>\u56fe1:O<sub>2<\/sub>\u548cS<sub>2<\/sub>\u5728Ag(111)\u9762\u53d1\u751f\u5206\u89e3\u7684\u80fd\u91cf\u8def\u5f84\uff08\u5e73\u9762\u6ce2DFT\u548cReaxFF\u503c\uff09\u3002<\/p>\n<p><strong><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-170109\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/1-7.png\" alt=\"\" width=\"600\" height=\"389\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/1-7.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/1-7-300x195.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/strong><\/p>\n<p>\u56fe2\uff1aAg(001)\u786b\u5316\u7684\u5feb\u7167\u3002<\/p>\n<p><strong><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-170110\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/2-6.png\" alt=\"\" width=\"600\" height=\"217\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/2-6.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/2-6-300x109.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/strong>(a)Ag-S\u53cd\u5e94\u673a\u5236\u793a\u610f\u56fe\uff1b<\/p>\n<p>(b)t=5 ns (T=750 K) \u65f6\u5b58\u5728\u22115(310)\u6676\u754c\u7684\u5feb\u7167\uff1b<\/p>\n<p>(c)t=5 ns (T=750 K) \u65f6\u4e0d\u5b58\u5728\u22115(310)\u6676\u754c\u7684\u5feb\u7167\uff1b<\/p>\n<p>\u56fe3\uff1aDFT\u80fd\u91cf\u5b66\u53cd\u6620Ag-S\u548cAg-O\u53cd\u5e94\u76f8\u5173\u6b65\u9aa4\u3002<\/p>\n<p><strong><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-170111\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/3-5.png\" alt=\"\" width=\"600\" height=\"1075\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/3-5.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/3-5-167x300.png 167w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/3-5-572x1024.png 572w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/strong>(a)\u5728\u88f8\u9732\u8868\u9762\uff08\u9ed1\u8272\u6570\u5b57\uff09\u548c\u5b58\u57281,2\u62163\u4e2a\u5438\u9644\u539f\u5b50\uff08\u84dd\u8272\u6570\u5b57\uff09\u7684\u5438\u9644\u539f\u5b50\/\u7a7a\u4f4d\u5bf9\u5f62\u6210\u80fd\uff1b<\/p>\n<p>(b)S\/O\u539f\u5b50\u4ece\u5e73\u8861\u8868\u9762\u5411\u4e9a\u5e73\u8861\u8868\u9762\u4f4d\u7f6e\u79fb\u52a8\u7684\u80fd\u91cf\u5206\u5e03\u56fe\u3002<\/p>\n<p>\u56fe4\uff1a\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u5feb\u7167\u5c55\u793a\u6c27\u6c14\u5728\u94f6\u8868\u9762\u5206\u89e3\u3001\u6e17\u900f\u7684\u673a\u5236\u3002<\/p>\n<p><strong><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-170112\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/4-5.png\" alt=\"\" width=\"600\" height=\"464\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/4-5.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/03\/4-5-300x232.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/strong><\/p>\n<p>\u3010\u5c0f\u7ed3\u3011<\/p>\n<p>\u4f5c\u8005\u5229\u7528DFT\u548c\u53cd\u5e94\u529b\u573a\u4ece\u539f\u5b50\u5c3a\u5ea6\u6765\u7814\u7a76\u94f6\u7684\u9508\u8680\u73b0\u8c61\uff0c\u901a\u8fc7\u5927\u91cf\u7684\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\uff0c\u53ef\u51c6\u786e\u63cf\u8ff0\u94f6\u786b\u5316\u548c\u6c27\u5316\u7684\u4e0d\u540c\u673a\u5236\uff0c\u4ece\u800c\u8bf4\u660e\u4e3a\u4f55\u94f6\u4f1a\u4e0e\u786b\u5316\u7269\u53cd\u5e94\u800c\u4e0d\u548c\u6c27\u6c14\u53cd\u5e94\u3002\u8be5\u7814\u7a76\u4e2d\uff0c\u4f5c\u8005\u5f00\u53d1\u4e86Ag\/S\u548cAg\/O \u53cd\u5e94\u529b\u573a\uff0c\u7ecf\u5927\u91cf\u68c0\u9a8c\u662f\u51c6\u786e\u7684\uff0c\u53ef\u7528\u4e8eAg\/O\/S\u53cd\u5e94\u7684\u8fdb\u4e00\u6b65\u7814\u7a76\u3002\u4f5c\u8005\u5e0c\u671b\u901a\u8fc7\u9610\u91ca\u94f6\u9508\u8680\u7684\u5177\u4f53\u673a\u5236\uff0c\u53ef\u4fc3\u4f7f\u7535\u5b50\u5de5\u4e1a\u754c\u63d0\u51fa\u751f\u4ea7\u94f6\u57fa\u6297\u8150\u8680\u5408\u91d1\u7684\u5408\u7406\u6750\u6599\u8bbe\u8ba1\u7b56\u7565\u3002<\/p>\n<p>\u6587\u732e\u94fe\u63a5\uff1a<a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/ange.201901630\" target=\"_blank\" rel=\"noopener\">Silver Tarnishing Mechanism Revealed by Molecular Dynamics Simulations<\/a>\uff08Angew. Chem.\uff0c2019\uff0cDOI\uff1a10.1002\/ange.201901630\uff09<\/p>\n<p>\u672c\u6587\u7531\u6750\u6599\u4eba\u8ba1\u7b97\u6750\u6599\u7ec4Isobel\u4f9b\u7a3f\uff0c\u6750\u6599\u725b\u6574\u7406\u7f16\u8f91\u3002<\/p>\n<p>\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<p>\u6295\u7a3f\u4ee5\u53ca\u5185\u5bb9\u5408\u4f5c\u53ef\u52a0\u7f16\u8f91\u5fae\u4fe1\uff1acailiaokefu<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u3010\u5f15\u8a00\u3011 \u94f6\u88ab\u7528\u4f5c\u827a\u672f\u548c\u73e0\u5b9d\u88c5\u9970\u5df2\u6709\u51e0\u5343\u5e74\u7684\u5386\u53f2\uff0c\u800c\u4eca\u8fd8\u88ab\u5e7f\u6cdb\u5e94\u7528\u4e8e\u50ac\u5316\u3001\u7535\u5b50\u8bbe\u5907\u548c\u5c40\u57df\u8868\u9762\u7b49\u79bb\u6fc0\u5143\u7eb3\u7c73\u82af\u7247\u7b49\u91cd\u8981\u6280\u672f\u88c5\u5907\u4e2d\uff0c\u5176\u4e2d\u5b58\u5728\u4e00\u4e2a\u666e\u904d\u95ee\u9898\u2014\u2014\u94f6\u7684\u8150\u8680\uff0c&#8230;<\/p>\n","protected":false},"author":4765,"featured_media":170112,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[215,2],"tags":[2597,3944,3945],"class_list":["post-170108","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-jiedu","category-keji","tag-2597","tag-3944","tag-3945"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/170108"}],"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\/4765"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=170108"}],"version-history":[{"count":5,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/170108\/revisions"}],"predecessor-version":[{"id":170667,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/170108\/revisions\/170667"}],"wp:featuredmedia":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/media\/170112"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=170108"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=170108"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=170108"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}