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\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:\u8282\u7701\u6570\u5e74\u65f6\u95f4\uff0cAI\u53d1\u73b0\u66f4\u9ad8\u6548\u7eff\u6c22\u50ac\u5316\u5242\u4ec5\u9700\u51e0\u5929\uff0c36,000\u591a\u79cd\u6df7\u5408\u91d1\u5c5e\u6c27\u5316\u7269\u8bad\u7ec3<\/a><\/p>\n

<\/a><\/p>\n

\u7f16\u8f91 | KX<\/p>\n

\u6c22\u80fd\u88ab\u8a89\u4e3a\u300c21 \u4e16\u7eaa\u7684\u7ec8\u6781\u80fd\u6e90\u300d\uff0c\u56e0\u5177\u6709\u91cd\u91cf\u8f7b\u3001\u53d1\u70ed\u503c\u9ad8\u3001\u6e05\u6d01\u4f4e\u78b3\u3001\u53ef\u56de\u6536\u5229\u7528\u7b49\u591a\u91cd\u7279\u6027\u800c\u5907\u53d7\u9752\u7750\u3002<\/p>\n

\u8d28\u5b50\u4ea4\u6362\u819c\u7535\u89e3\u6c34\u5177\u6709\u80fd\u91cf\u8f6c\u6362\u7387\u9ad8\u3001\u4ea7\u7269\u6c22\u6c14\u7eaf\u5ea6\u9ad8\u7b49\u4f18\u70b9\uff0c\u662f\u4e00\u79cd\u524d\u666f\u5e7f\u9614\u7684\u5236\u6c22\u6280\u672f\u3002<\/p>\n

\u5728\u8fd9\u4e00\u8fc7\u7a0b\u4e2d\uff0c\u9700\u8981\u5927\u91cf\u7684\u7535\u529b\uff0c\u4ee5\u53ca\u6602\u8d35\u7684\u91d1\u5c5e\u50ac\u5316\u5242\uff0c\u6765\u751f\u4ea7\u6c22\u6c14\u3002<\/p>\n

\u8fd1\u65e5\uff0c\u591a\u4f26\u591a\u5927\u5b66 (UoT) \u7684\u7814\u7a76\u4eba\u5458\u5229\u7528 AI \u786e\u5b9a\u4e86\u4e00\u79cd\u66f4\u597d\u7684\u7eff\u8272\u6c22\u6c14\u751f\u4ea7\u50ac\u5316\u5242\uff0c\u4ece\u800c\u8282\u7701\u4e86\u6570\u5e74\u7684\u5b9e\u9a8c\u65f6\u95f4\u3002<\/p>\n

\u8be5\u56e2\u961f\u5f00\u53d1\u4e86\u4e00\u79cd ML \u8f85\u52a9\u8ba1\u7b97\u6d41\u7a0b\uff0c\u53ef\u4ee5\u7b5b\u9009 2070 \u79cd\u65b0\u578b\u91d1\u5c5e\u6c27\u5316\u7269\u5728\u9178\u6027\u6761\u4ef6\u4e0b\u7684\u7535\u5316\u5b66\u7a33\u5b9a\u6027\u3002\u6700\u7ec8\uff0c\u786e\u5b9a\u4e86\u4e00\u79cd\u7531\u7279\u5b9a\u6bd4\u4f8b\u7684\u948c\u3001\u94ec\u548c\u949b\u7ec4\u6210\u7684\u5408\u91d1\uff08Ru0.6Cr0.2Ti0.2Ox\uff09\u662f\u4e00\u79cd\u66f4\u5177\u8010\u4e45\u6027\u7684\u5019\u9009\u6750\u6599\uff0c\u8be5\u5408\u91d1\u5728\u7a33\u5b9a\u6027\u548c\u8010\u7528\u6027\u65b9\u9762\u6bd4\u57fa\u51c6\u91d1\u5c5e\u597d 20 \u500d\u3002<\/p>\n

\u6b63\u5982\u8bba\u6587\u4e00\u4f5c\u3001\u591a\u4f26\u591a\u5927\u5b66\u535a\u58eb\u751f Jehad Abed \u6240\u8bf4\uff1a\u300cAI \u53ef\u4ee5\u63a8\u8350\u6570\u5341\u4ebf\u79cd\u91d1\u5c5e\u6c27\u5316\u7269\u7ec4\u5408\u3002\u7814\u7a76\u4eba\u5458\u53ef\u80fd\u9700\u8981\u82b1\u8d39\u6570\u5e74\u65f6\u95f4\u624d\u80fd\u627e\u5230\u4e00\u79cd\u6ee1\u8db3\u4ed6\u4eec\u671f\u671b\u6761\u4ef6\u7684\u5408\u91d1\uff0c\u4f46 AI \u5728\u51e0\u5929\u4e4b\u5185\u5c31\u627e\u5230\u4e86\u4e00\u79cd\u9ad8\u6548\u7684\u5019\u9009\u6750\u6599\u3002\u300d<\/p>\n

\u76f8\u5173\u7814\u7a76\u4ee5\u300cPourbaix Machine Learning Framework Identifies Acidic Water Oxidation Catalysts Exhibiting Suppressed Ruthenium Dissolution<\/em>\u300d\u4e3a\u9898\uff0c\u53d1\u8868\u5728\u300aJournal of the American Chemical Society<\/em>\u300b\u4e0a\u3002<\/p>\n

<\/a><\/p>\n

\u8bba\u6587\u94fe\u63a5\uff1ahttps:\/\/pubs.acs.org\/doi\/10.1021\/jacs.4c01353<\/em><\/p>\n

\u5236\u6c22\u7535\u50ac\u5316\u5242<\/strong><\/p>\n

\u8d28\u5b50\u4ea4\u6362\u819c (PEM) \u7535\u89e3\u69fd\u5177\u6709\u66f4\u9ad8\u7684\u7535\u6d41\u5bc6\u5ea6\u3001\u66f4\u9ad8\u7684\u6c22\u6c14\u538b\u529b\u548c\u66f4\u5c0f\u7684\u5360\u5730\u9762\u79ef\uff0c\u5728\u5546\u4e1a\u7eff\u8272\u6c22\u6c14\u751f\u4ea7\u7684\u589e\u957f\u4e2d\u53d1\u6325\u7740\u91cd\u8981\u4f5c\u7528\u3002\u7136\u800c\uff0c\u7531\u4e8e\u8d35\u91d1\u5c5e\u50ac\u5316\u5242\u7684\u4f7f\u7528\uff0c\u819c\u7535\u6781\u7ec4\u4ef6\u7684\u6210\u672c\u7ea6\u5360 PEM \u603b\u6210\u672c\u7684 30%\u3002<\/p>\n

\u6c27\u5316\u94f1\u00a0(IrO2) \u662f\u76ee\u524d\u552f\u4e00\u80fd\u591f\u627f\u53d7\u5f3a\u9178\u6761\u4ef6\u4e0b\u9633\u6781\u6790\u6c27\u53cd\u5e94 (OER) \u7684\u7535\u50ac\u5316\u5242\uff0c\u4f46\u5176\u9ad8\u6602\u7684\u6210\u672c\u548c\u4e0d\u65ad\u589e\u957f\u7684\u9700\u6c42\u5e26\u6765\u4e86\u6311\u6218\u3002\u8bbe\u8ba1\u9ad8\u6548\u7a33\u5b9a\u7684\u65e0\u94f1 OER \u7535\u50ac\u5316\u5242\u5bf9\u4e8e\u672a\u6765\u5927\u89c4\u6a21\u5236\u6c22\u81f3\u5173\u91cd\u8981\u3002<\/p>\n

Ru \u57fa OER \u50ac\u5316\u5242\u662f\u4e00\u79cd\u5f88\u6709\u524d\u9014\u7684 Ir \u66ff\u4ee3\u54c1\uff0c\u7136\u800c\uff0cOER \u8fc7\u7a0b\u4e2d Ru \u539f\u5b50\u7684\u8fc7\u5ea6\u6c27\u5316\u4f1a\u5bfc\u81f4\u53ef\u6eb6\u6027\u00a0<\/a>\u00a0\u7269\u8d28\u7684\u5f62\u6210\uff0c\u8fd9\u4f1a\u663e\u8457\u7f29\u77ed\u50ac\u5316\u5242\u7684\u5bff\u547d\u3002<\/p>\n

<\/a><\/a><\/p>\n

\u89c6\u9891\uff1aAI \u53d1\u73b0\u66f4\u597d\u7684\u7eff\u8272\u6c22\u6c14\u751f\u4ea7\u50ac\u5316\u5242\u3002<\/section>\n

\u89c6\u9891\u94fe\u63a5\uff1ahttps:\/\/mp.weixin.qq.com\/s\/cQIYNAbsRtP50jXKL517EQ<\/a><\/p>\n

36,000 \u591a\u79cd\u6df7\u5408\u91d1\u5c5e\u6c27\u5316\u7269\u8bad\u7ec3\u7684 AI<\/strong><\/p>\n

\u9274\u4e8e RuO2\u00a0\u4f18\u5f02\u7684 OER \u6d3b\u6027\uff0c\u4ee5\u53ca\u4e0e Ru \u6eb6\u89e3\u548c\u7535\u5316\u5b66\u7a33\u5b9a\u6027\u76f8\u5173\u7684\u6311\u6218\uff0c\u8be5\u7814\u7a76\u7684\u76ee\u6807\u662f\u7b5b\u9009\u5e7f\u9614\u7684\u591a\u91d1\u5c5e\u6c27\u5316\u7269\u5316\u5b66\u7a7a\u95f4\uff0c\u901a\u8fc7\u5408\u91d1\u5316\u589e\u5f3a RuO2\u00a0\u50ac\u5316\u5242\u3002<\/p>\n

\u795e\u7ecf\u7f51\u7edc\u5df2\u7528\u4e8e\u6307\u5bfc\u65b0\u6750\u6599\u7684\u53d1\u73b0\u3002\u7136\u800c\uff0c\u6311\u6218\u5728\u4e8e\u51c6\u786e\u9884\u6d4b\u6c27\u5316\u7269\u7684 Pourbaix \u7a33\u5b9a\u6027\uff0c\u540c\u65f6\u964d\u4f4e\u5047\u9633\u6027\u9884\u6d4b\u7684\u98ce\u9669\u548c\u4ece\u672a\u677e\u5f1b\u7684\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u7ed3\u6784\u51fa\u53d1\u7684\u9884\u6d4b\u7684\u4f4e\u53ef\u9760\u6027\u3002<\/p>\n

\u5728\u6b64\uff0c\u7814\u7a76\u4eba\u5458\u5728 36,000 \u591a\u79cd\u6df7\u5408\u91d1\u5c5e\u6c27\u5316\u7269\u4e0a\u8bad\u7ec3\u4e86 CGCNN-HD\uff0c\u8fd9\u4e9b\u6c27\u5316\u7269\u4f7f\u7528\u6676\u683c\u7f29\u653e\u65b9\u6cd5\u8fdb\u884c\u7edf\u4e00\u7684\u9884\u5904\u7406\u548c\u7f29\u653e\uff0c\u786e\u4fdd\u5feb\u901f\u4e14\u7ecf\u6d4e\u9ad8\u6548\u5730\u4f18\u5316\u6676\u683c\u4ee5\u7528\u4e8e\u8bad\u7ec3\u548c\u65b0\u7684\u5047\u8bbe\u6750\u6599\u3002<\/p>\n

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\u4e4b\u540e\uff0c\u5c06\u641c\u7d22\u91cd\u70b9\u653e\u5728 Ru \u57fa\u6c27\u5316\u7269\u4e0a\uff0c\u5e76\u4f7f\u7528 DFT \u8ba1\u7b97\u7684\u91d1\u5c5e-\u6c27\u5171\u4ef7\u6027\u4f5c\u4e3a\u672c\u4f53\uff08bulk\uff09\u7a33\u5b9a\u6027\u7684\u7b2c\u4e8c\u4e2a\u63cf\u8ff0\u7b26\u3002<\/p>\n

<\/a><\/p>\n

\u56fe\u793a\uff1a(a) \u673a\u5668\u5b66\u4e60\u9ad8\u901a\u91cf\u7b5b\u9009 (ML-HTS) \u5de5\u4f5c\u6d41\u7a0b\u3002(b) CGCNN-HD \u6a21\u578b\u67b6\u6784\u3002(c) \u5947\u5076\u6821\u9a8c\u56fe\u3002(d) CGCNN-HD \u5b50\u96c6\u7684 \u0394Gpbx \u70ed\u56fe\uff08\u5de6\uff09\u4e0e DFT \u9a8c\u8bc1\u7a33\u5b9a\u6027\u70ed\u56fe\uff08\u53f3\uff09\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

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\u901a\u8fc7\u8ba1\u7b97\u786e\u5b9a Ru0.6Cr0.2Ti0.2Ox\u00a0\u662f\u6700\u4f73\u5019\u9009\u7269\uff0c\u5e76\u901a\u8fc7\u5b9e\u9a8c\u5408\u6210\u4e86\u8be5\u6750\u6599\u8fdb\u884c\u6d4b\u8bd5\u3002\u7ecf\u8fc7 OER \u8bc4\u4f30\uff0c\u53d1\u73b0\u63ba\u6742 Ti \u53ef\u7a33\u5b9a RuO2 \u5e76\u589e\u52a0\u7ed3\u6784\u7684\u91d1\u5c5e-\u6c27\u5171\u4ef7\u6027\u3002<\/p>\n

<\/a><\/p>\n

\u56fe\u793a\uff1aRu0.6Cr0.2Ti0.2Ox \u7684 STXM \u8c31\u56fe\u5206\u6790\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u901a\u8fc7\u539f\u4f4d X \u5c04\u7ebf\u5438\u6536\u5149\u8c31 (XAS) \u548c\u975e\u539f\u4f4d\u626b\u63cf\u900f\u5c04 X \u5c04\u7ebf\u663e\u5fae\u955c (STXM) \u5149\u8c31\u8054\u7acb\u6cd5\u7814\u7a76\u4e86\u53cd\u5e94\u8fc7\u7a0b\u4e2d\u5019\u9009\u7269\u7684\u7ed3\u6784\u53d8\u5316\u3002\u53d1\u73b0\u5728\u6676\u683c\u4e2d\u63ba\u6742 Ti \u4f1a\u4ea7\u751f\u5f3a\u7684\u91d1\u5c5e-\u6c27\u5171\u4ef7\u6027\u3002<\/p>\n

<\/a><\/p>\n

\u56fe\u793a\uff1aDEMS \u7ed3\u679c\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u6b64\u5916\uff0c\u4f7f\u7528\u7535\u611f\u8026\u5408\u7b49\u79bb\u5b50\u4f53\u539f\u5b50\u53d1\u5c04\u5149\u8c31 (ICP-AES) \u548c\u539f\u4f4d\u5dee\u5206\u7535\u5316\u5b66\u8d28\u8c31 (DEMS) \u6765\u91cf\u5316\u948c\u6eb6\u89e3\u548c\u6676\u683c\u6c27\u53c2\u4e0e\uff0c\u5c06\u8fd9\u4e9b\u56e0\u7d20\u4e0e\u7406\u89e3\u6027\u80fd\u4e0b\u964d\u8054\u7cfb\u8d77\u6765\u3002\u8bc1\u5b9e\u4e86\u53cd\u5e94\u8fc7\u7a0b\u4e2d\u5f62\u6210\u7684\u7531 Ti-\u6c27\u7f51\u7edc\u548c Cr \u8986\u76d6\u5c42\u7ec4\u6210\u7684\u4e9a\u7a33\u6001\u7ed3\u6784\u6291\u5236\u4e86 Ru \u7684\u6eb6\u89e3 20 \u500d\u3002<\/p>\n

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DFT \u8ba1\u7b97\u8868\u660e\uff0cTi \u53ef\u589e\u52a0\u91d1\u5c5e-\u6c27\u5171\u4ef7\u6027\uff0c\u8fd9\u662f\u63d0\u9ad8\u7a33\u5b9a\u6027\u7684\u6f5c\u5728\u9014\u5f84\uff0c\u800c Cr \u53ef\u964d\u4f4e HOO* \u5f62\u6210\u901f\u7387\u51b3\u5b9a\u6b65\u9aa4\u7684\u80fd\u5792\uff0c\u4e0e RuO2 \u76f8\u6bd4\uff0c\u6d3b\u6027\u589e\u52a0\uff0c\u5e76\u5728 100 mA cm^-2 \u65f6\u5c06\u8fc7\u7535\u4f4d\u964d\u4f4e 40 mV\uff0c\u540c\u65f6\u4fdd\u6301\u7a33\u5b9a\u6027\u3002<\/p>\n

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\u4e0b\u4e00\u6b65\u662f\u5b9e\u6d4b<\/strong><\/p>\n

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\u591a\u4f26\u591a\u5927\u5b66\u7814\u7a76\u4eba\u5458\u7684\u8ba1\u5212\u5ef6\u7eed\u4e86 DeepMind \u53bb\u5e74\u7684\u521b\u65b0\uff0c\u5f53\u65f6 GNoME AI \u5de5\u5177\u5e2e\u52a9\u53d1\u73b0\u4e86 220 \u4e07\u4e2a\u65b0\u6676\u4f53\uff0c\u53ef\u7528\u4e8e\u4e0b\u4e00\u4ee3\u8d85\u5bfc\u4f53\u548c\u7535\u52a8\u6c7d\u8f66\u7535\u6c60\u3002\u8fd9\u4e24\u9879\u7a81\u7834\u90fd\u5f3a\u8c03\u4e86\u4eba\u5de5\u667a\u80fd\u7684\u7a81\u7834\u6027\u80fd\u529b\u548c\u60ca\u4eba\u7684\u901f\u5ea6\uff0c\u5b83\u53ef\u4ee5\u5e2e\u52a9\u6211\u4eec\u4e3a\u672a\u6765\u7684\u6280\u672f\u627e\u5230\u6709\u7528\u7684\u6750\u6599\u3002<\/p>\n

\u53c2\u8003\u5185\u5bb9\uff1a<\/p>\n

https:\/\/phys.org\/news\/2024-08-team-ai-cheaper-green-hydrogen.html<\/em><\/p>\n

https:\/\/newatlas.com\/science\/ai-better-green-hydrogen-catalyst\/<\/em><\/p>\n

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