{"id":187576,"date":"2019-10-16T06:30:14","date_gmt":"2019-10-15T22:30:14","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=187576"},"modified":"2019-10-15T11:02:44","modified_gmt":"2019-10-15T03:02:44","slug":"%e7%ba%a6%e7%bf%b0%e9%9c%8d%e6%99%ae%e9%87%91%e6%96%af%e5%a4%a7%e5%ad%a6tim-mueller%e8%af%be%e9%a2%98%e7%bb%84pnas%ef%bc%9a%e6%96%b0%e6%80%9d%e8%b7%af%ef%bc%81%e5%90%88%e9%87%91%e7%9b%b8%e5%9b%be","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=187576","title":{"rendered":"\u7ea6\u7ff0\u970d\u666e\u91d1\u65af\u5927\u5b66Tim Mueller\u8bfe\u9898\u7ec4PNAS\uff1a\u65b0\u601d\u8def\uff01\u5408\u91d1\u76f8\u56fe\u76f4\u63a5\u9884\u6d4b\u50ac\u5316\u6d3b\u6027"},"content":{"rendered":"<p>\u5408\u91d1\u50ac\u5316\u5242\u7684\u5408\u7406\u6027\u8bbe\u8ba1\u662f\u5316\u5b66\u5de5\u7a0b\u5e08\u548c\u6750\u6599\u79d1\u5b66\u5bb6\u7684\u957f\u671f\u76ee\u6807\u3002\u4e3a\u4e86\u8bbe\u8ba1\u5177\u6709\u9ad8\u6027\u80fd\u7684\u50ac\u5316\u5242\uff0c\u5fc5\u987b\u8003\u8651\u5757\u72b6\u6750\u6599\u7684\u6676\u683c\u53c2\u6570\uff08\u5e94\u53d8\u6548\u5e94\uff09\u4ee5\u53ca\u50ac\u5316\u53cd\u5e94\u5438\u9644\u4f4d\u90bb\u8fd1\u7684\u5c40\u90e8\u539f\u5b50\u6392\u5217\u3002 \u53e6\u5916\uff0c\u9ad8\u6027\u80fd\u50ac\u5316\u5242\u7684\u8bbe\u8ba1\u4e5f\u9700\u8981\u8003\u8651\u5408\u6210\u7684\u96be\u6613\u7a0b\u5ea6\uff0c\u50ac\u5316\u5242\u7684\u8010\u53d7\u6027\uff0c\u4ee5\u53ca\u8868\u9762\u7684\u7a33\u5b9a\u6027\u3002 \u5728\u5141\u8bb8\u65e0\u5e8f\u66ff\u4ee3\u7684\u5408\u91d1\u4e2d\uff0c\u8fd9\u901a\u5e38\u9700\u8981\u51c6\u786e\u8bc4\u4f30\u5927\u91cf\u76f8\u4e92\u7ade\u4e89\u7684\u4e0d\u540c\u7684\u8868\u9762\u6784\u578b\u7684\u80fd\u91cf\uff0c\u5e76\u786e\u4fdd\u8868\u9762\u4e0e\u5176\u4e0b\u9762\u7684\u5757\u72b6\u6750\u6599\u5904\u4e8e\u70ed\u529b\u5b66\u5e73\u8861\u72b6\u6001\u3002\u540c\u65f6\u8003\u8651\u4ee5\u4e0a\u56e0\u7d20\u5bf9\u7814\u7a76\u4eba\u5458\u63d0\u51fa\u4e86\u91cd\u5927\u6311\u6218\uff0c\u5c24\u5176\u662f\u8003\u8651\u5230\u5408\u91d1\u4e2d\u5141\u8bb8\u65e0\u5e8f\u66ff\u4ee3\u800c\u5bfc\u81f4\u7684\u7684\u53ef\u80fd\u6784\u578b\u6570\u91cf\u7684\u7ec4\u5408\u5f0f\u7206\u70b8\u6027\u589e\u957f\u3002<\/p>\n<p>\u4e3a\u89e3\u51b3\u8fd9\u4e00\u6311\u6218\uff0c\u7ea6\u7ff0\u970d\u666e\u91d1\u65af\u5927\u5b66\uff08JHU\uff09\u7684Tim Mueller\u8bfe\u9898\u7ec4\u5f00\u53d1\u4e86\u4e00\u79cd\u5feb\u901f\u8ba1\u7b97\u76f8\u5e73\u8861\u4e0b\u5408\u91d1\u8868\u9762\u7ed3\u6784\u548c\u50ac\u5316\u6027\u80fd\u7684\u6a21\u578b\u3002\u4e3a\u5b9e\u73b0\u8be5\u6a21\u578b\uff0c\u7814\u7a76\u4eba\u5458\u5f00\u53d1\u4e86\u4e00\u79cd\u53ef\u4ee5\u751f\u6210\u663e\u5f0f\u5730\u7eb3\u5165\u5757\u72b6\u6750\u6599\uff08\u4e0e\u5408\u91d1\u8868\u9762\u5904\u4e8e\u76f8\u5e73\u8861\uff09\u6676\u683c\u53c2\u6570\u7684slab\u00a0cluster\u00a0expansion\uff08CE\uff09\u7684\u65b9\u6cd5\u3002\u8fd9\u79cd\u65b9\u6cd5\u53ef\u4ee5\u8ba1\u7b97\u51fa\u5408\u91d1\u8868\u9762\u7684\u6784\u578b\uff0c\u5e76\u7edf\u8ba1\u5730\u91c7\u6837\u5408\u91d1\u76f8\u56fe\u4e2d\u6bcf\u4e2a\u70b9\u4e0a\u5438\u9644\u7269\u7684\u7ed3\u5408\u80fd\uff08\u4f8b\u5982\uff0c\u6c27\u8fd8\u539f\u53cd\u5e94\uff08ORR\uff09\u4e2d\u6c27\u7ed3\u5408\u80fd\uff09\u3002\u5f53\u4e0e\u501f\u52a9\u5438\u9644\u7269\u7ed3\u5408\u80fd\u9884\u6d4b\u50ac\u5316\u6d3b\u6027\u7684\u65b9\u6cd5\uff08\u4f8b\u5982\uff0cvolcano plot\uff09\u7ed3\u5408\u4f7f\u7528\u65f6\uff0c\u53ef\u4ee5\u5728\u76f8\u56fe\u4e2d\u7684\u6bcf\u4e2a\u70b9\u4e0a\u751f\u6210\u50ac\u5316\u6d3b\u6027\u56fe\uff0c\u4ece\u800c\u5f97\u5230\u53ef\u80fd\u4ea7\u751f\u9ad8\u6d3b\u6027\u50ac\u5316\u5242\u7684\u5408\u6210\u6761\u4ef6\u3002\u7814\u7a76\u4eba\u5458\u901a\u8fc7\u5206\u6790\u7528\u4e8eORR\u7684Pt-Ni\u5408\u91d1\u50ac\u5316\u5242\uff0c\u9610\u91ca\u4e86\u8be5\u65b9\u6cd5\u7684\u53ef\u884c\u6027\u3002\u7814\u7a76\u4eba\u5458\u5728Pt-Ni\u76f8\u56fe\u4e2d\u53d1\u73b0\u4e86\u4e24\u4e2a\u9884\u8ba1\u5c06\u4ea7\u751f\u9ad8\u6d3b\u6027\u50ac\u5316\u5242\u7684\u533a\u57df\uff0c\u8fdb\u4e00\u6b65\u5206\u6790\u8868\u660e\uff0cPt<sub>3<\/sub>Ni\uff08111\uff09\u9762\u5177\u6709\u6700\u9ad8\u7684\u6c27\u8fd8\u539f\u53cd\u5e94\u50ac\u5316\u6d3b\u6027\u7684\u539f\u56e0\uff0c\u5f88\u53ef\u80fd\u662fL1<sub>2<\/sub>\u91d1\u5c5e\u95f4\u76f8\uff08intermetallic phase\uff09\u7684\u5f62\u6210\u3002\u7814\u7a76\u4eba\u5458\u5229\u7528\u751f\u6210\u7684\u8868\u9762\u6784\u578b\u56fe\u548c\u50ac\u5316\u6d3b\u6027\u56fe\u89e3\u91ca\u4e86L1<sub>2<\/sub>\u76f8\u7684\u91d1\u5c5e\u95f4\u76f8\u6027\u8d28\u5982\u4f55\u5bfc\u81f4\u5176\u9ad8\u50ac\u5316\u6d3b\u6027\uff0c\u5e76\u8ba8\u8bba\u4e86\u5982\u4f55\u5728\u50ac\u5316\u8bbe\u8ba1\u4e2d\u8fd0\u7528\u5176\u4e2d\u7684\u539f\u7406\u3002\u76f8\u5173\u6210\u679c\u8fd1\u671f\u53d1\u8868\u5728PNAS\u4e0a\uff0c\u7b2c\u4e00\u4f5c\u8005\u4e3a\u7ea6\u7ff0\u970d\u666e\u91d1\u65af\u5927\u5b66\u7684\u66f9\u4eae\u535a\u58eb\uff0c\u901a\u8baf\u4f5c\u8005\u4e3aTim Mueller\u6559\u6388\u3002<\/p>\n<p><strong><b>\u7ed3\u679c\u4e0e\u8ba8\u8bba<\/b><\/strong><\/p>\n<p>\u9996\u5148\uff0c\u7814\u7a76\u4eba\u5458\u5efa\u7acb\u4e86\u5229\u7528DFT\u8ba1\u7b97\u7ed3\u679c\u8bad\u7ec3\u5f97\u5230\u7684Pt-Ni\u5408\u91d1bulk\u00a0CE\u6a21\u578b\uff0c\u5e76\u901a\u8fc7Alloy Theoretic Automated Toolkit (ATAT) \u8f6f\u4ef6\u6a21\u62df\u51fa\u4e86\u4e0e\u4ee5\u5f80\u7684\u5b9e\u9a8c\u4e0e\u6a21\u62df\u7ed3\u679c\u76f8\u543b\u5408\u7684\u5408\u91d1\u76f8\u56fe\uff08\u56fe1\uff09\u3002<\/p>\n<p style=\"text-align: center;\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-187578\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72471-8.png\" alt=\"\" width=\"600\" height=\"280\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72471-8.png 1430w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72471-8-300x140.png 300w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72471-8-768x358.png 768w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72471-8-1024x478.png 1024w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/> \u00a0\u00a0\u00a0\u56fe1. \u6a21\u62df\u51fa\u7684Pt-Ni\u5408\u91d1\u76f8\u56fe\u3002\u56fe\u7247\u6765\u6e90\uff1aPNAS<\/p>\n<p>\u901a\u8fc7\u53ef\u4ee5\u663e\u5f0f\u5730\u7eb3\u5165\u6676\u683c\u53c2\u6570\u7684slab CE\u6a21\u578b\uff0c\u7814\u7a76\u4eba\u5458\u786e\u4fdd\u4e86slab\u7684\u6676\u683c\u53c2\u6570\uff0c\u6e29\u5ea6\u548c\u91d1\u5c5e\u5143\u7d20\u7684\u5316\u5b66\u52bf\uff08Pt\u548cNi\uff09\u4e0e\u5757\u72b6\u6750\u6599\u4e00\u81f4\uff0c\u4ece\u800c\u8bc6\u522b\u51fa\u4e0e\u5176\u8868\u9762\u4e0b\u7684\u5757\u72b6\u6750\u6599\u8fbe\u5230\u5e73\u8861\u6001\u7684\u5408\u91d1\u8868\u9762\u76f8 \u3002\u66f4\u8fdb\u4e00\u6b65\u5730\uff0c\u901a\u8fc7\u7edf\u8ba1\u91c7\u6837\u6c27\u7ed3\u5408\u80fd\u5e76\u4f7f\u7528volcano plot\u4e2d\u7684\u7ed3\u5408\u80fd\u4e0e\u50ac\u5316\u6d3b\u6027\u4e4b\u95f4\u7684\u5173\u7cfb\uff0c\u7814\u7a76\u4eba\u5458\u9884\u6d4b\u51fa\u4e86\u5408\u91d1\u76f8\u56fe\u4e2d\u6240\u6709\u70b9\u7684ORR\u50ac\u5316\u6d3b\u6027\u56fe\uff08\u56fe2\uff09\u548c\u8868\u9762\u4e0a\u9010\u5c42\u6210\u5206\u7ec4\u6210\u56fe\uff08\u56fe3\u548cSI Appendix\uff0c\u56feS4\uff09\u3002\u4ece\u56fe2\u4e2d\uff0c\u7814\u7a76\u4eba\u5458\u53d1\u73b0\u4e86\u4e24\u4e2a\u9884\u8ba1\u5c06\u4ea7\u751f\u9ad8\u6d3b\u6027\u50ac\u5316\u5242\u7684\u533a\u57df\uff1a\u5728L1<sub>2<\/sub>\u91d1\u5c5e\u95f4\u76f8\uff08intermetallic\u00a0phase\uff09\u4e2d\u7565\u5fae\u5bccPt\u4fa7\u5b58\u5728\u4e00\u4e2a\u9ad8\u50ac\u5316\u6d3b\u6027\u7684\u533a\u57df\uff1b\u5728\u56fa\u6eb6\u4f53\u76f8\uff08solid-solution\u00a0phase\uff09\u4e2d\u66f4\u5bccPt\u5904\uff08Pt\u224885%\uff09\u5b58\u5728\u53e6\u4e00\u4e2a\u9ad8\u50ac\u5316\u6d3b\u6027\u7684\u533a\u57df\u3002<strong><b>\u00a0<\/b><\/strong><\/p>\n<p><strong><b><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-187579\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72472-8.png\" alt=\"\" width=\"600\" height=\"323\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72472-8.png 1430w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72472-8-300x162.png 300w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72472-8-768x414.png 768w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72472-8-1024x552.png 1024w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/b><\/strong><\/p>\n<p style=\"text-align: center;\">\u56fe2. Pt-Ni\u5408\u91d1\uff08111\uff09\u9762\u7684\u50ac\u5316\u6d3b\u6027\u56fe\uff08A\uff09\u548c\u8fd1\u8868\u9762\u6210\u5206\u56fe\uff08B\uff09\u3002\u56fe\u7247\u6765\u6e90\uff1aPNAS<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-187580\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72473-8.png\" alt=\"\" width=\"600\" height=\"328\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72473-8.png 1430w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72473-8-300x164.png 300w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72473-8-768x420.png 768w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72473-8-1024x560.png 1024w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe3.\u00a0Pt\u2012Ni\uff08111\uff09\u5408\u91d1\u8868\u9762\u4e0a\u7684\u9010\u5c42\u6210\u5206\u7ec4\u6210\u56fe\u3002\u56fe\u7247\u6765\u6e90\uff1aPNAS<\/p>\n<p>\u7279\u522b\u5730\uff0c\u5728L1<sub>2<\/sub>\u91d1\u5c5e\u95f4\u76f8\u4e2d\uff0c\u7814\u7a76\u4eba\u5458\u53d1\u73b0\u572876.9\uff05Pt\u548c420 K\u7684\u6e29\u5ea6\u4e0b\uff0cslab\u00a0CE\u9884\u6d4b\u7684\u8fd1\u8868\u9762\u7ec4\u6210\u4e0e\u76ee\u524d\u4e3a\u6b62\u5b9e\u9a8c\u4e0a\u89c2\u5bdf\u5230\u7684\u6700\u9ad8\u6d3b\u6027ORR\u50ac\u5316\u5242\uff1aPt<sub>3<\/sub>Ni\uff08111\uff09\u9762\uff08Stamenkovic et al. Science\u00a02007, 315, 493-497\uff09\uff0c\u975e\u5e38\u63a5\u8fd1\uff08\u56fe3\uff0cSI Appendix, \u56feS4\u548c\u56fe4A\uff09,\u00a0\u8868\u660e\u8be5\u50ac\u5316\u5242\u81f3\u5c11\u662f\u90e8\u5206\u6709\u5e8f\u3002\u56e0\u6b64\uff0c\u5b9e\u9a8c\u4e0aPt<sub>3<\/sub>Ni\uff08111\uff09\u9762\u5177\u6709\u6700\u9ad8ORR\u6d3b\u6027\u7684\u539f\u56e0\uff0c\u5f88\u53ef\u80fd\u662f\u7531\u4e8eL1<sub>2<\/sub>\u91d1\u5c5e\u95f4\u76f8\uff08intermetallic phase\uff09\u7684\u5f62\u6210\u3002<\/p>\n<p><strong><b><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-187581\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72474-7.png\" alt=\"\" width=\"600\" height=\"235\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72474-7.png 1430w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72474-7-300x117.png 300w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72474-7-768x301.png 768w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72474-7-1024x401.png 1024w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/b><\/strong><\/p>\n<p style=\"text-align: center;\">\u56fe4. CE\u9884\u6d4b\u7684\u548c\u5b9e\u9a8c\u8868\u5f81\u7684Pt-Ni(111)\u9762\u4e0a\u9010\u5c42\u7ec4\u6210\u4e4b\u95f4\u7684\u6bd4\u8f83\u3002\u56fe\u7247\u6765\u6e90\uff1aPNAS<\/p>\n<p>\u56fa\u6eb6\u76f8\uff08solid\u00a0solutions\uff09\u4e2d\u9ad8\u6d3b\u6027\u533a\u57df\u4e2d\u7684\u5e73\u5747\u6c27\u7ed3\u5408\u80fd\u6bd4\u6709\u5e8f\u76f8\uff08intermetallics\uff09\u9ad8\u6d3b\u6027\u533a\u57df\u4e2d\u7684\u5e73\u5747\u6c27\u7ed3\u5408\u80fd\uff08\u56fe5A\uff09\u66f4\u63a5\u8fd1volcano\u00a0plot\u7684\u5cf0\u503c\uff08\u56fe5B\uff09\uff0c\u4f46CE\u9884\u6d4b\u7684\u6709\u5e8f\u76f8\u4e2d\u7684\u50ac\u5316\u6d3b\u6027\u5cf0\u503c\u5374\u66f4\u9ad8\u3002\u8fd9\u662f\u7531\u6c27\u7ed3\u5408\u80fd\u5728\u50ac\u5316\u5242\u8868\u9762\u5404\u4e2a\u5438\u9644\u4f4d\u7684\u4e0d\u540c\u5206\u5e03\uff08\u56fe5C\u548c5D\uff09\u9020\u6210\u7684\uff1a\u5728\u6709\u5e8f\u76f8\u4e2d\uff0c\u63a5\u8fd1volcano plot\u5cf0\u503c\u7684\u5438\u9644\u4f4d\u5bc6\u5ea6\u66f4\u9ad8\uff08\u56fe5C\uff09\u3002\u8fd9\u8bf4\u660e\u4e86\u91d1\u5c5e\u95f4\u76f8\u5728\u50ac\u5316\u4e2d\u7684\u4e00\u4e2a\u597d\u5904\uff1a\u539f\u5b50\u7684\u6709\u5e8f\u6392\u5217\u53ef\u80fd\u5bfc\u81f4\u9ad8\u6d53\u5ea6\u7684\u9ad8\u6d3b\u6027\u5438\u9644\u4f4d\u70b9\u3002\u76f8\u56fe\u4e2d\uff0c\u6700\u7b26\u5408\u5b9e\u9a8c\u4e0a\u89c2\u5bdf\u5230\u6700\u9ad8\u6d3b\u6027\u50ac\u5316\u5242\u7684\u9010\u5c42\u7ec4\u6210\u5206\u5e03\u7684\u70b9\u62e5\u6709\u90e8\u5206\u65e0\u5e8f\u7684\u7b2c\u4e8c\u5c42\uff08\u56fe5E\u548cSI Appendix, \u56feS5A\uff09\uff0c\u5176\u8868\u9762\u5438\u9644\u4f4d\u4e4b\u95f4\u7684\u50ac\u5316\u6d3b\u6027(\u56fe5E)\u6bd4\u6709\u5e8f\u7684\u8868\u9762\uff08\u56fe5C\uff09\u4e2d\u5b58\u5728\u66f4\u5927\u7684\u5206\u6563\uff0c\u4ece\u800c\u5bfc\u81f4\u4e86\u8f83\u4f4e\u7684\u50ac\u5316\u6d3b\u6027\u3002\u4ee5\u4e0a\u5206\u6790\u8868\u660e\uff0c\u901a\u8fc7\u5408\u6210\u5b8c\u5168\u6709\u5e8f\u7684\u50ac\u5316\u5242\uff0c\u53ef\u4ee5\u5728intermetallics\u4e2d\u5b9e\u73b0\u6bd4\u5df2\u7ecf\u5728\u5b9e\u9a8c\u4e0a\u89c2\u5bdf\u5230\u7684\u66f4\u9ad8\u7684\u50ac\u5316\u6d3b\u6027\u3002<strong><b>\u00a0<\/b><\/strong><\/p>\n<p><strong><b><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-187582\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72475-7.png\" alt=\"\" width=\"600\" height=\"487\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72475-7.png 1430w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72475-7-300x243.png 300w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72475-7-768x623.png 768w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2019\/10\/\u56fe\u72475-7-1024x831.png 1024w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/b><\/strong><\/p>\n<p style=\"text-align: center;\">\u56fe5.\u00a0Pt-Ni\uff08111\uff09\u8868\u9762\u4e0a\u7684\u6c27\u7ed3\u5408\u80fd (A)\uff0cSabatier volcano\u00a0plot\u00a0(B), \u6c27\u7ed3\u5408\u80fd\u5728\u4e09\u4e2a\u5177\u6709\u4ee3\u8868\u6027\u7684\u8868\u9762\u7684\u5206\u5e03\uff08C-E\uff09\u3002 \u56fe\u7247\u6765\u6e90\uff1aPNAS<\/p>\n<p><strong><b>\u603b\u7ed3<\/b><\/strong><\/p>\n<p>Tim Mueller\u6559\u6388\u8bfe\u9898\u7ec4\u901a\u8fc7\u5efa\u7acb\u4e00\u79cd\u65b0\u7684\u8ba1\u7b97\u6a21\u578b\u6765\u786e\u5b9a\u5408\u91d1\u8868\u9762\uff08\u4e0e\u4e0b\u5c42\u5757\u72b6\u6750\u6599\u5904\u4e8e\u5e73\u8861\u6001\uff09\u7684\u539f\u5b50\u6392\u5217\u7ed3\u6784\uff0c\u4ece\u800c\u9996\u6b21\u5efa\u7acb\u4e86\u5bf9\u5e94\u4e8e\u5408\u91d1\u76f8\u56fe\u4e2d\u7684\u6bcf\u4e2a\u70b9\u7684\u50ac\u5316\u5242\u8868\u9762\u6784\u578b\u56fe\u548c\u50ac\u5316\u6d3b\u6027\u56fe\u3002\u8fd9\u4e9b\u7ed3\u679c\u4e0d\u4ec5\u4e3a\u5b9e\u9a8c\u7814\u7a76\u4eba\u5458\u63d0\u4f9b\u4e86\u53ef\u53c2\u8003\u7684\u5408\u6210\u6761\u4ef6\uff0c\u5e76\u4e3a\u89c2\u5bdf\u5230\u7684\u50ac\u5316\u6d3b\u6027\u8d8b\u52bf\u63d0\u4f9b\u4e86\u5408\u7406\u7684\u89e3\u91ca\u3002\u5c3d\u7ba1\u8fd9\u7bc7\u5de5\u4f5c\u662f\u56f4\u7ed5Pt-Ni\u5408\u91d1\u548cORR\u5c55\u5f00\u7684\uff0c\u4f46\u5176\u9610\u8ff0\u7684\u65b9\u6cd5\u548c\u6982\u5ff5\u4e5f\u9002\u7528\u4e8e\u5176\u4ed6\u5408\u91d1\u50ac\u5316\u5242\u548c\u50ac\u5316\u53cd\u5e94\uff08\u6bd4\u5982CO<sub>2<\/sub>\u00a0and N<sub>2<\/sub>\u00a0\u7684\u7535\u5316\u5b66\u8fd8\u539f\uff09\u3002\u8fd9\u9879\u7814\u7a76\u6210\u679c\u4e3a\u5c55\u5f00\u9ad8\u6027\u80fd\u5408\u91d1\u50ac\u5316\u5242\u7684\u5408\u7406\u8bbe\u8ba1\u63d0\u4f9b\u4e86\u4e00\u79cd\u5feb\u901f\uff0c\u5b9e\u7528\u4e14\u6709\u6548\u7684\u8ba1\u7b97\u5de5\u5177\u3002<\/p>\n<p>\u53c2\u8003\u6587\u732e\uff1a<\/p>\n<p>Liang Cao, Le\u00a0Niu, Tim Mueller. Computationally generated maps of surface structures and catalytic activities for alloy phase diagrams.<\/p>\n<p>https:\/\/doi.org\/10.1073\/pnas.1910724116<\/p>\n<p>\u672c\u6587\u7531<strong>\u7ea6\u7ff0\u970d\u666e\u91d1\u65af\u5927\u5b66\uff08JHU\uff09\u7684Tim Mueller\u8bfe\u9898\u7ec4<\/strong>\u4f9b\u7a3f\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: tougao@cailiaoren.com.<\/p>\n<p>\u6295\u7a3f\u4ee5\u53ca\u5185\u5bb9\u5408\u4f5c\u53ef\u52a0\u7f16\u8f91\u5fae\u4fe1\uff1acailiaorenVIP.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u5408\u91d1\u50ac\u5316\u5242\u7684\u5408\u7406\u6027\u8bbe\u8ba1\u662f\u5316\u5b66\u5de5\u7a0b\u5e08\u548c\u6750\u6599\u79d1\u5b66\u5bb6\u7684\u957f\u671f\u76ee\u6807\u3002\u4e3a\u4e86\u8bbe\u8ba1\u5177\u6709\u9ad8\u6027\u80fd\u7684\u50ac\u5316\u5242\uff0c\u5fc5\u987b\u8003\u8651\u5757\u72b6\u6750\u6599\u7684\u6676\u683c\u53c2\u6570\uff08\u5e94\u53d8\u6548\u5e94\uff09\u4ee5\u53ca\u50ac\u5316\u53cd\u5e94\u5438\u9644\u4f4d\u90bb\u8fd1\u7684\u5c40\u90e8\u539f\u5b50\u6392\u5217&#8230;<\/p>\n","protected":false},"author":11454,"featured_media":187578,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[215],"tags":[],"class_list":["post-187576","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-jiedu"],"_links":{"self":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/187576"}],"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\/11454"}],"replies":[{"embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=187576"}],"version-history":[{"count":7,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/187576\/revisions"}],"predecessor-version":[{"id":187622,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/187576\/revisions\/187622"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/media\/187578"}],"wp:attachment":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=187576"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=187576"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=187576"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}