{"id":236619,"date":"2022-05-05T06:30:13","date_gmt":"2022-05-04T22:30:13","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=236619"},"modified":"2022-05-04T20:35:37","modified_gmt":"2022-05-04T12:35:37","slug":"%e4%b8%9c%e5%8d%97%e5%a4%a7%e5%ad%a6%e7%8e%8b%e9%87%91%e5%85%b0%e6%95%99%e6%8e%88%e5%9b%a2%e9%98%9fchem%e7%bb%bc%e8%bf%b0%ef%bc%9a%e8%ae%a1%e7%ae%97%e5%8a%a9%e5%8a%9b%e7%94%b5%e5%82%ac%e5%8c%96","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=236619","title":{"rendered":"\u4e1c\u5357\u5927\u5b66\u738b\u91d1\u5170\u6559\u6388\u56e2\u961fChem\u7efc\u8ff0\uff1a\u8ba1\u7b97\u52a9\u529b\u7535\u50ac\u5316\u5242\u7814\u53d1"},"content":{"rendered":"<p><strong>\u5bfc\u8bfb<\/strong><\/p>\n<p>\u968f\u7740\u5168\u7403\u80fd\u6e90\u77ed\u7f3a\u4ee5\u53ca\u73af\u5883\u95ee\u9898\u7684\u65e5\u76ca\u4e25\u5cfb\uff0c\u6e05\u6d01\u80fd\u6e90\u7684\u5f00\u53d1\u5df2\u662f\u8feb\u5728\u7709\u776b\u3002\u7535\u5316\u5b66\u80fd\u91cf\u8f6c\u6362\uff0c\u80fd\u591f\u5728\u7535\u80fd\u9a71\u52a8\u4e0b\u3001\u5c06\u7a7a\u6c14\u4e2d\u7684\u5c0f\u5206\u5b50\uff08H<sub>2<\/sub>O\u3001CO<sub>2<\/sub>\u3001N<sub>2<\/sub>\u7b49\uff09\u8f6c\u5316\u4e3a\u589e\u503c\u4ea7\u7269\uff08H<sub>2<\/sub>\u3001C<sub>x<\/sub>H<sub>y<\/sub>O<sub>z<\/sub>\u3001NH<sub>3<\/sub>\u7b49\uff09\uff0c\u4ece\u800c\u5b9e\u73b0\u80fd\u6e90\u4e0e\u91cd\u8981\u5316\u5b66\u539f\u6599\u7684\u7eff\u8272\u3001\u53ef\u6301\u7eed\u751f\u4ea7\uff0c\u56e0\u6b64\u88ab\u89c6\u4e3a\u89e3\u51b3\u5f53\u524d\u80fd\u6e90\u77ed\u7f3a\u4e0e\u73af\u5883\u95ee\u9898\u7684\u6f5c\u5728\u65b9\u6848\u4e4b\u4e00\u3002\u5f53\u524d\uff0c\u7f3a\u5c11\u9ad8\u6548\u3001\u7a33\u5b9a\u3001\u4ef7\u683c\u4f4e\u5ec9\u7684\u7535\u50ac\u5316\u5242\u662f\u9650\u5236\u8fd9\u4e00\u6280\u672f\u5b9e\u9645\u5e94\u7528\u7684\u5173\u952e\u95ee\u9898\u4e4b\u4e00\uff0c\u56e0\u6b64\u7535\u50ac\u5316\u5242\u7684\u7814\u53d1\u4e00\u76f4\u662f\u8be5\u9886\u57df\u7814\u7a76\u7684\u91cd\u70b9\u548c\u96be\u70b9\u3002\u5728\u8fc7\u53bb\u7684\u5341\u51e0\u5e74\u4e2d\uff0c\u7535\u50ac\u5316\u5242\u7684\u7814\u53d1\u53d6\u5f97\u4e86\u957f\u8db3\u8fdb\u6b65\uff0c\u800c\u7406\u8bba\u8ba1\u7b97\u5728\u8fd9\u4e2a\u8fc7\u7a0b\u4e2d\u53d1\u6325\u7740\u4e0d\u53ef\u6216\u7f3a\u7684\u4f5c\u7528\u3002\u6709\u9274\u4e8e\u6b64\uff0c<strong>\u4e1c\u5357\u5927\u5b66\u738b\u91d1\u5170\u6559\u6388<\/strong>\uff08\u901a\u8baf\u4f5c\u8005\uff09\u3001<strong>\u51cc\u5d07\u76ca\u526f\u6559\u6388<\/strong>\uff08\u7b2c\u4e00\u4f5c\u8005\uff09\u7b49\u4eba\u56f4\u7ed5\u201c\u8ba1\u7b97\u5982\u4f55\u52a9\u529b\u7535\u50ac\u5316\u5242\u7814\u53d1\u201d\uff0c\u7ed3\u5408\u56e2\u961f\u524d\u671f\u7684\u7814\u7a76\u6210\u679c\u4ee5\u53ca\u9886\u57df\u5185\u4e00\u4e9b\u7ecf\u5178\u4f8b\u5b50\uff0c\u5728<strong><em>Chem<\/em><\/strong>\u4e0a\u53d1\u8868\u7efc\u8ff0\u8bba\u6587\u201c<strong>How computations accelerate electrocatalyst discovery<\/strong>\u201d\uff0c\u4ece\u7406\u89e3\u548c\u6307\u5bfc\u5b9e\u9a8c\u4e24\u4e2a\u65b9\u9762\uff0c\u603b\u7ed3\u548c\u4ecb\u7ecd\u4e86\u7406\u8bba\u8ba1\u7b97\u5728\u7535\u50ac\u5316\u5242\u53d1\u5c55\u8fc7\u7a0b\u4e2d\u7684\u91cd\u8981\u4f5c\u7528\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-236627\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/1-2.jpg\" alt=\"\" width=\"554\" height=\"231\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/1-2.jpg 554w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/1-2-300x125.jpg 300w\" sizes=\"(max-width: 554px) 100vw, 554px\" \/><\/p>\n<p><strong>\u7efc\u8ff0\u8981\u70b9<\/strong><\/p>\n<p>\u6587\u7ae0\u9996\u5148\u603b\u7ed3\u4e86\u7406\u8bba\u8ba1\u7b97\u65b9\u6cd5\u4e0e\u6a21\u578b\u7684\u53d1\u5c55\uff0c\u4ecb\u7ecd\u4e86\u4e0d\u540c\u65b9\u6cd5\u4e0e\u6a21\u578b\u7684\u4f18\u52bf\u4e0e\u7f3a\u70b9\u3002\u5176\u6b21\uff0c\u5728\u7406\u89e3\u5b9e\u9a8c\u65b9\u9762\uff0c\u4f5c\u8005\u63d0\u51fa\u5229\u7528\u7406\u8bba\u8ba1\u7b97\u80fd\u591f\u5e2e\u52a9\u786e\u5b9a\u6d3b\u6027\u4e2d\u5fc3\u539f\u5b50\u7ed3\u6784\u3001\u63cf\u8ff0\u53cd\u5e94\u673a\u7406\u4ee5\u53ca\u6784\u5efa\u6d3b\u6027\u63cf\u8ff0\u7b26\u4ee5\u7406\u89e3\u6d3b\u6027\u8d77\u6e90\uff0c\u5e76\u4ecb\u7ecd\u4e86\u57fa\u4e8e\u8fd9\u4e9b\u7406\u89e3\u800c\u53d6\u5f97\u7684\u91cd\u8981\u7814\u7a76\u8fdb\u5c55\u3002\u5728\u6307\u5bfc\u5b9e\u9a8c\u65b9\u9762\uff0c\u6587\u7ae0\u7ed3\u5408\u4e00\u4e9b\u7814\u7a76\u7ed3\u679c\uff0c\u4ecb\u7ecd\u4e86\u5982\u4f55\u57fa\u4e8e\u7406\u8bba\u8ba1\u7b97\u6784\u5efa\u7684\u201c\u7ed3\u6784-\u6027\u80fd\u201d\u5173\u7cfb\u8fdb\u884c\u50ac\u5316\u5242\u7684\u7406\u6027\u8bbe\u8ba1\uff0c\u4ee5\u53ca\u8bbe\u8ba1\u201c\u7a81\u7834\u56fa\u6709\u7ebf\u6027\u5173\u7cfb\u9650\u5236\u201d\u7684\u9ad8\u6548\u50ac\u5316\u5242\u7684\u8bbe\u8ba1\u539f\u5219\u3002\u6b64\u5916\uff0c\u6587\u7ae0\u4e5f\u4ecb\u7ecd\u4e86\u5229\u7528\u9ad8\u901a\u91cf\u4ee5\u53ca\u673a\u5668\u5b66\u4e60\u7b49\u6280\u672f\u624b\u6bb5\u4ece\u5927\u91cf\u5019\u9009\u6750\u6599\u4e2d\u6765\u7b5b\u9009\u9ad8\u6548\u7535\u50ac\u5316\u5242\uff0c\u4ee5\u6307\u5bfc\u5b9e\u9a8c\u5408\u6210\u7b49\u65b9\u9762\u7684\u8fdb\u5c55\u3002<\/p>\n<p>\u6700\u540e\uff0c\u4f5c\u8005\u5bf9\u7406\u8bba\u8ba1\u7b97\u5728\u7535\u50ac\u5316\u9886\u57df\u7684\u672a\u6765\u53d1\u5c55\u8fdb\u884c\u4e86\u5c55\u671b\u53ca\u4e2a\u4eba\u89c1\u89e3\u3002\u5176\u4e2d\u6700\u4e3b\u8981\u7684\u95ee\u9898\u5728\u4e8e\u65b9\u6cd5\u548c\u6a21\u578b\u7684\u53d1\u5c55\uff0c\u4ee5\u5b9e\u73b0\u771f\u5b9e\u7535\u5316\u5b66\u73af\u5883\u4e0b\u7684\u50ac\u5316\u53cd\u5e94\u6a21\u578b\uff0c\u4ece\u800c\u5bf9\u50ac\u5316\u5242\u7684\u6d3b\u6027\u3001\u9009\u62e9\u6027\u3001\u7a33\u5b9a\u6027\u7b49\u8fdb\u884c\u5b9a\u91cf\u63cf\u8ff0\u4e0e\u8bc4\u4f30\u3002\u6b64\u5916\uff0c\u4f5c\u8005\u4e5f\u63d0\u51fa\uff0c\u673a\u5668\u5b66\u4e60\u5728\u9ad8\u6548\u7535\u50ac\u5316\u5242\u7b5b\u9009\u65b9\u9762\u5df2\u7ecf\u5c55\u73b0\u51fa\u5de8\u5927\u4f18\u52bf\uff0c\u5176\u4f18\u70b9\u5728\u4e8e\u201c\u6570\u636e\u9a71\u52a8\u201d\u6240\u8d4b\u4e88\u7684\u9ad8\u6548\u7387\uff0c\u800c\u5176\u7f3a\u70b9\u4e5f\u5728\u4e8e\u201c\u6570\u636e\u9a71\u52a8\u201d\u6240\u5bfc\u81f4\u5927\u91cf\u3001\u9ad8\u8d28\u91cf\u6570\u636e\u7684\u4f9d\u8d56\u3002\u57fa\u4e8e\u6b64\uff0c\u4f5c\u8005\u547c\u5401\u7814\u7a76\u8005\u4eec\u80fd\u5728\u81ea\u5df1\u7684\u7814\u7a76\u5de5\u4f5c\u4e2d\u5c3d\u53ef\u80fd\u7684\u63d0\u4f9b\u51c6\u786e\u3001\u7ec6\u8282\u3001\u53ef\u91cd\u590d\u7684\u8ba1\u7b97\u548c\u5b9e\u9a8c\u6570\u636e\uff0c\u8fd9\u5fc5\u7136\u4f1a\u4fc3\u8fdb\u7535\u50ac\u5316\u5242\u7814\u53d1\u53d6\u5f97\u66f4\u91cd\u8981\u7684\u8fdb\u5c55\u3002<\/p>\n<p><strong>\u56fe\u6587\u89e3\u8bfb<\/strong><\/p>\n<p><strong>\u56fe<\/strong><strong>1 <\/strong>\u6587\u7ae0\u4e3b\u8981\u5185\u5bb9\u6982\u8ff0<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-236620\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/2-3.jpg\" alt=\"\" width=\"1269\" height=\"651\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/2-3.jpg 1269w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/2-3-300x154.jpg 300w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/2-3-768x394.jpg 768w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/2-3-1024x525.jpg 1024w\" sizes=\"(max-width: 1269px) 100vw, 1269px\" \/><\/p>\n<p><strong>\u56fe<\/strong><strong>2 <\/strong>Cu\u57faCO<sub>2<\/sub>\u8fd8\u539f\u50ac\u5316\u5242\u6d3b\u6027\u4e2d\u5fc3\u7ed3\u6784\u7684\u63a2\u7d22<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-236621\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/3-2.jpg\" alt=\"\" width=\"534\" height=\"374\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/3-2.jpg 534w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/3-2-300x210.jpg 300w\" sizes=\"(max-width: 534px) 100vw, 534px\" \/><\/p>\n<p><strong>\u56fe<\/strong><strong>3 <\/strong>\u7535\u50ac\u5316\u53cd\u5e94\u673a\u7406\u7684\u63a2\u7d22<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-236630\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/4-2.jpg\" alt=\"\" width=\"534\" height=\"553\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/4-2.jpg 534w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/4-2-290x300.jpg 290w\" sizes=\"(max-width: 534px) 100vw, 534px\" \/><\/p>\n<p><strong>\u56fe<\/strong><strong>4<\/strong> \u57fa\u4e8e\u63cf\u8ff0\u7b26\u7684\u7535\u50ac\u5316\u5242\u8bbe\u8ba1\u4e0e\u7b5b\u9009<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-236631\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/5-1.jpg\" alt=\"\" width=\"534\" height=\"436\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/5-1.jpg 534w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/5-1-300x245.jpg 300w\" sizes=\"(max-width: 534px) 100vw, 534px\" \/><\/p>\n<p><strong>\u56fe<\/strong><strong>5<\/strong> \u7a81\u7834\u7ebf\u6027\u5173\u7cfb\u9650\u5236\u7684\u9ad8\u6548\u50ac\u5316\u5242\u8bbe\u8ba1\u539f\u5219<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-236632\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/6-1.jpg\" alt=\"\" width=\"709\" height=\"653\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/6-1.jpg 709w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/6-1-300x276.jpg 300w\" sizes=\"(max-width: 709px) 100vw, 709px\" \/><\/p>\n<p><strong>\u56fe6<\/strong>\u00a0\u8ba1\u7b97\u9ad8\u901a\u91cf\u7b5b\u9009\u7535\u50ac\u5316\u5242<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-236625\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/7-1.jpg\" alt=\"\" width=\"534\" height=\"445\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/7-1.jpg 534w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/7-1-300x250.jpg 300w\" sizes=\"(max-width: 534px) 100vw, 534px\" \/><\/p>\n<p><strong>\u56fe<\/strong><strong>7<\/strong> \u57fa\u4e8e\u673a\u5668\u5b66\u4e60\u7b97\u6cd5\u52a0\u901f\u7535\u50ac\u5316\u5242\u7b5b\u9009<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-236626\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/8.jpg\" alt=\"\" width=\"534\" height=\"399\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/8.jpg 534w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2022\/05\/8-300x224.jpg 300w\" sizes=\"(max-width: 534px) 100vw, 534px\" \/><\/p>\n<p><strong>\u539f\u6587\u94fe\u63a5\uff1a<\/strong><\/p>\n<p><a href=\"https:\/\/www.sciencedirect.com\/science\/article\/abs\/pii\/S2451929422001528\">https:\/\/www.sciencedirect.com\/science\/article\/abs\/pii\/S2451929422001528<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u5bfc\u8bfb 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