{"id":241563,"date":"2022-08-29T07:25:41","date_gmt":"2022-08-28T23:25:41","guid":{"rendered":"\/\/m.iemloyee.com\/?p=241563"},"modified":"2022-08-28T21:24:35","modified_gmt":"2022-08-28T13:24:35","slug":"%ef%bc%88%e5%b7%b2%e6%a0%a1%e7%a8%bf%e4%bb%b6%ef%bc%89%e6%99%ae%e6%b8%a1%e5%a4%a7%e5%ad%a6nat-commun-%ef%bc%9a%e5%a4%9a%e7%9b%b8%e5%82%ac%e5%8c%96%e7%95%8c%e9%9d%a2%e7%9a%84%e6%b7%b1%e5%ba%a6","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=241563","title":{"rendered":"\u666e\u6e21\u5927\u5b66Nat. Commun.\uff1a\u591a\u76f8\u50ac\u5316\u754c\u9762\u7684\u6df1\u5ea6\u53cd\u5e94"},"content":{"rendered":"<p>\u3010\u5bfc\u8bfb\u3011<\/p>\n<p>\u6784\u5efa\u590d\u6742\u53cd\u5e94\u7f51\u7edc\u7684\u52a8\u529b\u5b66\u7ec6\u8282\u5bf9\u4e8e\u7406\u89e3\u591a\u76f8\u50ac\u5316\u8868\u9762\u81f3\u5173\u91cd\u8981\uff0c\u4f46\u76ee\u524d\u9a71\u52a8\u63a2\u7d22\u6027\u50ac\u5316\u5242\u5f00\u53d1\u7684\u5408\u6210\u548c\u5b9e\u9a8c\u5de5\u4f5c\u7684\u9ad8\u901a\u91cf\u5f80\u5f80\u8d85\u8fc7\u4e86\u5047\u8bbe\u9a71\u52a8\u7684\u63a2\u7d22\u6240\u9700\u7684\u9886\u57df\u77e5\u8bc6\u3002\u56e0\u6b64\uff0c\u8feb\u5207\u9700\u8981\u5f00\u53d1\u8ba1\u7b97\u65b9\u6cd5\u6765\u52a0\u901f\u548c\u81ea\u52a8\u5316\u8868\u9762\u590d\u6742\u53cd\u5e94\u7f51\u7edc\u7684\u63a2\u7d22\u3001\u8868\u5f81\u548c\u7ec6\u5316\u3002\u5728\u591a\u76f8\u50ac\u5316\u7684\u80cc\u666f\u4e0b\uff0c\u8ba1\u7b97\u65b9\u6cd5\u5728\u8868\u5f81\u76ee\u6807\u53cd\u5e94\u7684\u8fc7\u6e21\u6001\uff08TS\uff09\u3001\u5bf9\u5df2\u5efa\u7acb\u7684\u53cd\u5e94\u7f51\u7edc\u8fdb\u884c\u5fae\u52a8\u529b\u5b66\u5efa\u6a21\u4ee5\u53ca\u4f7f\u7528\u57fa\u4e8e\u63cf\u8ff0\u7b26\u7684\u65b9\u6cd5\u4f18\u5316\u50ac\u5316\u5242\u65b9\u9762\u76f8\u5bf9\u6210\u719f\u3002\u7136\u800c\uff0c\u8868\u5f81\u65b0\u50ac\u5316\u754c\u9762\u7684\u4e00\u4e2a\u6838\u5fc3\u6311\u6218\u5728\u4e8e\u6784\u5efa\u52a8\u529b\u5b66\u76f8\u5173\u7684\u53cd\u5e94\u7f51\u7edc\uff0c\u8be5\u7f51\u7edc\u901a\u5e38\u57fa\u4e8e\u76f4\u89c9\uff0c\u4e14\u975e\u5e38\u8017\u65f6\u3001\u6613\u9519\u3002<\/p>\n<p>\u7531\u4e8e\u8fd9\u4e9b\u539f\u56e0\uff0c\u81ea\u52a8\u53cd\u5e94\u9884\u6d4b\u65b9\u6cd5\u6709\u671b\u7528\u4e8e\u9610\u660e\u6d89\u53ca\u5f02\u8d28\u754c\u9762\u7684\u53cd\u5e94\u7f51\u7edc\u3002\u8fd9\u4e9b\u65b9\u6cd5\u6839\u636e\u662f\u5426\u8be6\u7ec6\u7814\u7a76\u52bf\u80fd\u9762\uff08potential energy surface, PES\uff09\u6765\u5b9a\u4f4dTS\uff0c\u6216\u662f\u5426\u4f7f\u7528\u4e00\u7ec4\u5c01\u95ed\u7684\u53cd\u5e94\u6a21\u677f\u6765\u679a\u4e3e\u53cd\u5e94\u7f51\u7edc\u5206\u7c7b\u3002\u5176\u4e2d\uff0c\u76f4\u63a5\u7814\u7a76PES\u7684\u65b9\u6cd5\u81f3\u5c11\u5728\u539f\u5219\u4e0a\u89c4\u907f\u4e86\u8fd9\u4e00\u9650\u5236\u3002\u867d\u7136\u53cd\u5e94\u7cfb\u7edf\u5c3a\u5bf8\u5f88\u5c0f\uff0c\u4f46\u8fd9\u79cd\u5206\u6790\u9700\u8981\u6570\u767e\u4e07\u6b21\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u68af\u5ea6\u8c03\u7528\u3002\u5f02\u6784\u5e94\u7528\u5728\u5e94\u7528\u81ea\u52a8\u5316\u65b9\u6cd5\u65b9\u9762\u8fd8\u5b58\u5728\u5176\u4ed6\u51e0\u4e2a\u6280\u672f\u969c\u788d\uff0c\u5305\u62ec\u8868\u9762\u6a21\u578b\u5178\u578b\u7684\u8f83\u5927\u7cfb\u7edf\u5c3a\u5bf8\u3001\u4e0d\u53c2\u4e0e\u53cd\u5e94\u4f46\u5728\u53cd\u5e94\u9014\u5f84\u4e2d\u53d1\u6325\u91cd\u8981\u975e\u5171\u4ef7\u6216\u7ed3\u6784\u4f5c\u7528\u7684\u65c1\u89c2\u539f\u5b50\u7684\u51fa\u73b0\uff0c\u4ee5\u53ca\u53cd\u5e94\u7cfb\u7edf\u7684\u5468\u671f\u6027\u4e0e\u5206\u5b50\u6a21\u578b\u7684\u4f7f\u7528\u3002<\/p>\n<p><strong>\u3010\u6210\u679c\u63a0\u5f71\u3011<\/strong><\/p>\n<p>\u8fd1\u65e5\uff0c<strong>\u7f8e\u56fd\u666e\u6e21\u5927\u5b66Brett M. Savoie\u548cJeffrey Greeley\uff08\u5171\u540c\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba<\/strong>\u62a5\u9053\u4e86\u5982\u4f55\u901a\u8fc7\u7ed3\u5408\u57fa\u4e8e\u56fe\u5f62\u7684\u53cd\u5e94\u63a2\u7d22\u65b9\u6848YARP\u4e0e\u53cd\u5e94\u754c\u9762\u7684\u96c6\u7fa4\u6a21\u578b\u6765\u89e3\u51b3\u8fd9\u4e9b\u95ee\u9898\u3002\u57fa\u4e8e\u4e8c\u6c27\u5316\u7845\uff08SiO<sub>2<\/sub>\uff09\u8d1f\u8f7d\u7684\u5355\u4f4d\u70b9Ga<sup>3+<\/sup>\u50ac\u5316\u5242\u4e0a\u7684\u4e59\u70ef\u4f4e\u805a\u53cd\u5e94\u88ab\u7528\u4f5c\u8be5\u65b9\u6cd5\u7684\u57fa\u51c6\u7cfb\u7edf\uff0c\u57fa\u4e8e\u8fd9\u6837\u4e00\u4e2a\u4e8b\u5b9e\uff0c\u5c3d\u7ba1\u8be5\u7cfb\u7edf\u5b58\u5728\u5927\u91cf\u53cd\u5e94\u6570\u636e\uff0c\u4f46\u5b83\u4ecd\u7136\u8868\u73b0\u51fa\u4e00\u4e9b\u672a\u89e3\u91ca\u7684\u4ea7\u7269\u9014\u5f84\u3002\u7279\u522b\u662f\uff0c\u5df2\u62a5\u9053\u7684\u5355\u4f4d\u70b9Ga<sup>3+<\/sup>\u901a\u8fc7\u7ecf\u5178\u7684\u4ee5Ga-\u70f7\u57fa\u4e3a\u4e2d\u5fc3\u7684Cossee-Arlman\u673a\u7406\u8fdb\u884c\u4f4e\u805a\u5316\u5b66\u53cd\u5e94\uff0c\u5728250 \u2103\u548c1\u4e2a\u5927\u6c14\u538b\u4e0b\u5bf9\u77ed\u76f4\u94fe\u03b1-\u70ef\u70c3\u5177\u6709\u76f8\u5f53\u9ad8\u7684\u9009\u62e9\u6027\u3002\u6b64\u5916\uff0c\u8fd8\u68c0\u6d4b\u5230\u526f\u4ea7\u7269\uff0c\u5982\u8f7b\u8d28\u70f7\u70c3\u548c\u7126\u70ad\uff0c\u5728\u8f83\u9ad8\u6e29\u5ea6\u4e0b\u8fd9\u4e9b\u526f\u8def\u5f84\u7684\u673a\u7406\u7ec6\u8282\u4ecd\u672a\u63a2\u7d22\u3002\u5728\u6587\u4e2d\uff0cYARP\u4e0d\u4ec5\uff08\u91cd\u65b0\uff09\u53d1\u73b0\u4e86\u5df2\u5efa\u7acb\u7684\u4ee5Ga-\u70f7\u57fa\u4e3a\u4e2d\u5fc3\u7684Cossee-Arlman\u50ac\u5316\u5faa\u73af\u4ea7\u751f1-\u4e01\u70ef\uff0c\u800c\u4e14\u8fd8\u53d1\u73b0\u4e86\u7528\u4e8e\u526f\u53cd\u5e94\u5f62\u62101-\u4e01\u70ef\u5f02\u6784\u4f53\u3001\u5947\u6570-\u4f4e\u805a\u7269\u3001\u70f7\u70c3\u548c\u7126\u70ad\u524d\u4f53\u3002\u8fd9\u4e9b\u9014\u5f84\u8868\u73b0\u51fa\u591a\u79cd\u673a\u5236\uff0c\u5305\u62ec\u78b3\u4e3b\u94fe\u5ef6\u957f\u3001\u4f4e\u805a\u7269\u91ca\u653e\u3001\u6c22\u8f6c\u79fb\u5f62\u6210\u70f7\u70c3\u3002\u901a\u8fc7\u5bf9\u4e09\u4e2a\u4ee3\u8868\u6027\u50ac\u5316\u5faa\u73af\u7684\u80fd\u91cf\u8868\u9762\u7684\u8be6\u7ec6\u5206\u6790\uff0c\u53ef\u4ee5\u5408\u7406\u5316TS\u7684\u52a8\u529b\u5b66\u610f\u4e49\u3002\u7814\u7a76\u6210\u679c\u4ee5\u9898\u4e3a\u201c<strong>Deep reaction network exploration at a heterogeneous catalytic interfac<\/strong>e\u201d\u53d1\u5e03\u5728\u56fd\u9645\u8457\u540d\u671f\u520aNature Communications\u4e0a\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-241565\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/6-5.jpg\" alt=\"\" width=\"1099\" height=\"475\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/6-5.jpg 1099w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/6-5-300x130.jpg 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/6-5-768x332.jpg 768w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/6-5-1024x443.jpg 1024w\" sizes=\"(max-width: 1099px) 100vw, 1099px\" \/><\/p>\n<p><strong>\u3010\u6838\u5fc3\u521b\u65b0\u3011<\/strong><\/p>\n<p>\u5229\u7528YARP\u7ed3\u5408\u53cd\u5e94\u754c\u9762\u7684\u96c6\u7fa4\u6a21\u578b\u4e0d\u4ec5\u53d1\u73b0\u4ee5Ga-\u70f7\u57fa\u4e3a\u4e2d\u5fc3\u7684Cossee-Arlman\u50ac\u5316\u5faa\u73af\u4ea7\u751f1-\u4e01\u70ef\uff0c\u800c\u4e14\u8fd8\u53d1\u73b0\u4e86\u7528\u4e8e\u526f\u53cd\u5e94\u5f62\u62101-\u4e01\u70ef\u5f02\u6784\u4f53\u3001\u5947\u6570-\u4f4e\u805a\u7269\u3001\u70f7\u70c3\u548c\u7126\u70ad\u524d\u4f53\u3002<\/p>\n<p><strong>\u3010\u6570\u636e\u6982\u89c8\u3011<\/strong><\/p>\n<p><strong>\u56fe\u4e00\u3001\u5728SiO<sub>2<\/sub>\u8d1f\u8f7d\u5355\u4f4d\u70b9Ga<sup>3+<\/sup>\u50ac\u5316\u5242\u4e0a\u8fdb\u884c\u4e59\u70ef\u4f4e\u805a\u7684\u81ea\u52a8\u5316\u53cd\u5e94\u7f51\u7edc\u8868\u5f81\u6982\u8ff0<\/strong>\u00a9 Year The Authors<br \/>\n <img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-241564\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/1.webp_-5.jpg\" alt=\"\" width=\"800\" height=\"589\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/1.webp_-5.jpg 800w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/1.webp_-5-300x221.jpg 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/1.webp_-5-768x565.jpg 768w\" sizes=\"(max-width: 800px) 100vw, 800px\" \/>\uff08a\uff09\u4ece\u4f20\u7edf\u7684\u5468\u671f\u6a21\u578b\u6784\u5efa\u7684Ga<sup>3+<\/sup>\u5355\u4f4d\u70b9\u7684\u96c6\u7fa4\u6a21\u578b\uff1b<\/p>\n<p>\uff08b\uff09\u4ece\u6a21\u578b\u4e0a\u7684\u57fa\u672c\u53cd\u5e94\u6b65\u9aa4\u4ea7\u751f\u7684\u53cd\u5e94\u7269\/\u4e2d\u95f4\u4f53\u9012\u5f52\u679a\u4e3e\u7684\u4ea7\u7269\uff1b<\/p>\n<p>\uff08c\uff09\u8fc7\u6e21\u6001\u5b9a\u4f4d\u548c\u8868\u5f81\u5e94\u7528\u4e8e\u6bcf\u4e2a\u5217\u4e3e\u7684\u53cd\u5e94\uff1b<\/p>\n<p>\uff08d\uff09\u5f53\u7f51\u7edc\u63a2\u7d22\u9012\u5f52\u7ec8\u6b62\uff0c\u603b\u7ed3\u8be6\u7ec6\u7684\u53cd\u5e94\u673a\u5236\u548c\u76f8\u5173\u7684\u53cd\u5e94\u5faa\u73af\u3002<\/p>\n<p><strong>\u56fe\u4e8c\u3001YARP\u63a2\u7a76\u83b7\u5f97\u7684Ga\u50ac\u5316\u70ef\u70c3\u9f50\u805a\u53cd\u5e94\u7f51\u7edc<\/strong>\u00a9 Year The Authors<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-241566\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/2.webp_-4.jpg\" alt=\"\" width=\"800\" height=\"732\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/2.webp_-4.jpg 800w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/2.webp_-4-300x275.jpg 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/2.webp_-4-768x703.jpg 768w\" sizes=\"(max-width: 800px) 100vw, 800px\" \/><\/p>\n<p><strong>\u56fe\u4e09\u3001\u53cd\u5e94\u7f51\u7edc\u63a2\u7d22\u671f\u95f4\u786e\u5b9a\u7684\u4e09\u79cd\u57fa\u672c\u53cd\u5e94\u7c7b\u578b<\/strong>\u00a9 Year The Authors<br \/>\n <img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-241567\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/3.webp_-5.jpg\" alt=\"\" width=\"800\" height=\"541\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/3.webp_-5.jpg 800w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/3.webp_-5-300x203.jpg 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/3.webp_-5-768x519.jpg 768w\" sizes=\"(max-width: 800px) 100vw, 800px\" \/>\uff08I\uff09\u70ef\u70c3\u63d2\u5165\uff1b<\/p>\n<p>\uff08II\uff09\u03b2-\u6c22\u5316\u7269\u8f6c\u79fb\uff1b<\/p>\n<p>\uff08III\uff09\u03b1-\u6c22\u5316\u7269\u8f6c\u79fb\u3002<\/p>\n<p><strong>\u56fe\u56db\u3001\u4f4e\u805a\u3001\u5f02\u6784\u5316\u3001\u88c2\u89e3\u548c\u7126\u5316\u53cd\u5e94\u7684\u53ef\u80fd\u9014\u5f84<\/strong>\u00a9 Year The Authors<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-241568\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/4.webp_-4.jpg\" alt=\"\" width=\"800\" height=\"794\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/4.webp_-4.jpg 800w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/4.webp_-4-150x150.jpg 150w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/4.webp_-4-300x298.jpg 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/4.webp_-4-768x762.jpg 768w\" sizes=\"(max-width: 800px) 100vw, 800px\" \/><\/p>\n<p><strong>\u56fe\u4e94\u3001\u53cd\u5e94\u7f51\u7edc\u4e2d\u53d1\u73b0\u7684\u4e09\u4e2a\u52a8\u529b\u5b66\u76f8\u5173\u53cd\u5e94\u5faa\u73af\u7684\u80fd\u91cf\u56fe<\/strong>\u00a9 Year The Authors<br \/>\n <img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-241569\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/5.webp_-1.jpg\" alt=\"\" width=\"800\" height=\"1386\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/5.webp_-1.jpg 800w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/5.webp_-1-173x300.jpg 173w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/5.webp_-1-768x1331.jpg 768w, \/\/m.iemloyee.com\/wp-content\/uploads\/2022\/08\/5.webp_-1-591x1024.jpg 591w\" sizes=\"(max-width: 800px) 100vw, 800px\" \/>\uff08a\uff09\u4f7f\u7528\u96c6\u7fa4\u6a21\u578b\u548c\u5468\u671f\u6027\u5e73\u677f\u6bd4\u8f83\u5468\u671f\uff082\uff09\u7684\u80fd\u6e90\u666f\u89c2\uff1b<\/p>\n<p>\uff08b\uff09\u6bd4\u8f83\u7ade\u4e89\u70ef\u70c3\u5f62\u6210\u9014\u5f84\u548c\u88c2\u89e3\u9014\u5f84\uff1b<\/p>\n<p>\uff08c\uff09\u6bd4\u8f83\u7ade\u4e89\u4e59\u7094\u5f62\u6210\u9014\u5f84\u548c\u88c2\u89e3\u9014\u5f84\u3002<\/p>\n<p><strong>\u3010\u6210\u679c\u542f\u793a\u3011<\/strong><\/p>\n<p>\u7efc\u4e0a\u6240\u8ff0\uff0c\u968f\u7740\u7f51\u7edc\u52d8\u63a2\u6210\u4e3a\u50ac\u5316\u5242\u7b5b\u9009\u7684\u9884\u6d4b\u5de5\u5177\uff0c\u5206\u6790\u53cd\u5e94\u6570\u636e\u548c\u63d0\u53d6\u901a\u7528\u89c1\u89e3\u5c06\u6210\u4e3a\u74f6\u9888\u3002\u867d\u7136\u8fd9\u7c7b\u77e5\u8bc6\u63d0\u53d6\u5728\u4e00\u5b9a\u7a0b\u5ea6\u4e0a\u603b\u662f\u9700\u8981\u4eba\u5de5\u64cd\u4f5c\uff0c\u4f46\u901a\u8fc7\u57fa\u4e8e\u8f68\u9053\u5206\u6790\u548c\u5fae\u52a8\u529b\u5b66\u5efa\u6a21\u7684\u81ea\u52a8\u673a\u5236\u5206\u7c7b\uff0c\u6709\u51e0\u4e2a\u673a\u4f1a\u53ef\u4ee5\u7b80\u5316\u8fd9\u4e00\u8fc7\u7a0b\uff0c\u8fd9\u4e24\u8005\u90fd\u5c06\u5728\u672a\u6765\u5f97\u5230\u5229\u7528\u3002<\/p>\n<p><strong>\u6587\u732e\u94fe\u63a5\uff1a<a href=\"https:\/\/doi.org\/10.1038\/s41467-022-32514-7\" target=\"_blank\" rel=\"noopener\">Deep reaction network exploration at a heterogeneous catalytic interface<\/a><\/strong>. <em>Nature Communications<\/em>, 2022, DOI: 10.1038\/s41467-022-32514-7.<\/p>\n<p>\u672c\u6587\u7531CQR\u7f16\u8bd1\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\u7bb1\uff1atougao@cailiaoren.com.<\/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\u5bfc\u8bfb\u3011 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