{"id":267976,"date":"2025-08-18T06:48:00","date_gmt":"2025-08-17T22:48:00","guid":{"rendered":"\/\/m.iemloyee.com\/?p=267976"},"modified":"2025-08-17T21:00:16","modified_gmt":"2025-08-17T13:00:16","slug":"nature-materials%ef%bc%9a%e6%96%b0%e4%b8%80%e4%bb%a3%e7%94%b5%e8%a7%a3%e8%b4%a8%e6%9d%90%e6%96%99","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=267976","title":{"rendered":"Nature Materials\uff1a\u65b0\u4e00\u4ee3\u7535\u89e3\u8d28\u6750\u6599"},"content":{"rendered":"\n
\u7535\u5316\u5b66\u5668\u4ef6\u7684\u8fdb\u6b65\u4e3b\u8981\u5f97\u76ca\u4e8e\u7535\u89e3\u8d28\u6750\u6599\u7684\u53d1\u5c55\u3002\u7136\u800c\uff0c\u7531\u4e8e\u8d28\u5b50\u9677\u9631\u4ee5\u53ca\u63ba\u6742\u6c27\u5316\u7269\u4e2d\u79bb\u5b50\u8f7d\u4f53\u6d53\u5ea6\u4e0e\u7535\u5bfc\u7387\u4e4b\u95f4\u7684\u6743\u8861\u95ee\u9898\uff0c\u5f00\u53d1\u9ad8\u6027\u80fd\u4e14\u5316\u5b66\u7a33\u5b9a\u7684\u8d28\u5b50\u5bfc\u7535\u6c27\u5316\u7269\u7535\u89e3\u8d28\u4ecd\u7136\u9762\u4e34\u6311\u6218\u3002\u65e5\u672c\u4e5d\u5dde\u5927\u5b66Yoshihiro Yamazaki\u7b49\u4eba\u7814\u7a76\u53d1\u73b0BaSn\u2080.\u2083Sc\u2080.\u2087O\u2083\u2013\u03b4 (BSS70)<\/strong> \u548c BaTi\u2080.\u2082Sc\u2080.\u2088O\u2083\u2013\u03b4 (BTS80)<\/strong>\u5728 300\u00b0C \u4e0b\u8d28\u5b50\u7535\u5bfc\u7387\u8fbe 0.01\u20130.016 S cm\u207b\u00b9\uff0c\u8d85\u8d8a\u71c3\u6599\u7535\u6c60\u7535\u89e3\u8d28\u7684\u6280\u672f\u9608\u503c\uff080.01 S cm\u207b\u00b9\uff09\u3002\u673a\u5668\u5b66\u4e60\u529b\u573a\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df<\/strong>\uff08NNP-MD\uff09\u663e\u793a\u8d28\u5b50\u6cbf ScO\u2086\u2013ScO\u2086 \u8def\u5f84\u6269\u6563\uff0c\u6709\u6548\u7f13\u89e3\u4e86\u8d28\u5b50\u9677\u9631\u95ee\u9898\uff0c\u540c\u65f6\u8d28\u5b50\u66f4\u503e\u5411\u4e8e\u4e0eSc\u7ed3\u5408\u3002\u8be5\u7814\u7a76\u4e3a\u5f00\u53d1 \u4e2d\u6e29\uff08200\u2013400\u00b0C\uff09\u7535\u5316\u5b66\u5668\u4ef6<\/strong>\uff08\u71c3\u6599\u7535\u6c60\u3001\u7535\u89e3\u6c60\uff09\u63d0\u4f9b\u4e86\u65b0\u4e00\u4ee3\u7535\u89e3\u8d28\u6750\u6599\uff0c\u63d0\u51fa\u7684 ScO\u2086 \u7f51\u7edc\u673a\u5236<\/strong> \u548c \u6676\u683c\u8f6f\u5316\u63cf\u8ff0\u7b26<\/strong> \u4e3a\u9ad8\u6027\u80fd\u8d28\u5b50\u5bfc\u4f53\u8bbe\u8ba1\u5f00\u8f9f\u4e86\u65b0\u8303\u5f0f\u3002\u7814\u7a76\u6210\u679c\u4ee5Mitigating proton trapping in cubic perovskite oxides via ScO6 octahedral networks\u4e3a\u9898\u53d1\u8868\u4e8eNature Materials\u3002<\/p>\n\n\n\n \u6838\u5fc3\u521b\u65b0\u70b9<\/strong><\/p>\n\n\n\n 1.BaSn\u2080.\u2083Sc\u2080.\u2087O\u2083\u2013\u03b4 (BSS70) \u548c BaTi\u2080.\u2082Sc\u2080.\u2088O\u2083\u2013\u03b4 (BTS80)\u5728 300\u00b0C \u4e0b\u8d28\u5b50\u7535\u5bfc\u7387\u8fbe 0.01\u20130.016 S cm\u207b\u00b9\uff0c\u8d85\u8d8a\u71c3\u6599\u7535\u6c60\u7535\u89e3\u8d28\u7684\u6280\u672f\u9608\u503c\uff080.01 S cm\u207b\u00b9\uff09\u3002\u9996\u6b21\u5728 300\u00b0C \u5b9e\u73b0 \u7eaf\u8d28\u5b50\u4f20\u5bfc\uff08\u8d28\u5b50\u8fc1\u79fb\u6570 \u22481\uff09\uff0c\u586b\u8865\u4e86\u4e2d\u6e29\u56fa\u6001\u7535\u89e3\u8d28\u7a7a\u767d\uff08”Norby \u95f4\u9699”\uff09\u3002<\/p>\n\n\n\n 2.\u673a\u5668\u5b66\u4e60\u529b\u573a\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\uff08NNP-MD\uff09\u663e\u793a\u8d28\u5b50\u6cbf ScO\u2086\u2013ScO\u2086 \u8def\u5f84\u6269\u6563\uff08\u56fe 3\uff09\u3002Ab initio \u8ba1\u7b97\u8868\u660e ScO\u2086 \u7f51\u7edc\u63d0\u4f9b \u4f4e\u80fd\u5792\u8fc1\u79fb\u8def\u5f84\uff08\u22480.3 eV\uff09\uff0c\u800c Y \u63ba\u6742\u8def\u5f84\u80fd\u5792\u66f4\u9ad8\uff080.42\u20130.51 eV\uff09\uff08\u56fe 5a,b\uff09\u3002<\/p>\n\n\n\n 3.\u4f4e\u4f53\u6a21\u91cf\uff08Bulk Modulus\uff09 \u7684\u5bbf\u4e3b\u6c27\u5316\u7269\uff08\u5982 BaSnO\u2083\u3001BaTiO\u2083\uff09\u53ef\u5bb9\u7eb3\u66f4\u9ad8 Sc \u63ba\u6742\u91cf\uff08\u56fe 5c\uff09\u3002\u8f6f\u6676\u683c\u51cf\u5c11\u70b9\u7f3a\u9677\u5f15\u8d77\u7684\u7ed3\u6784\u7578\u53d8\u80fd\uff0c\u4fc3\u8fdb Sc \u6eb6\u5165\u6676\u683c\u3002\u63cf\u8ff0\u7b26\u540c\u6837\u9002\u7528\u4e8e Y \u7b49\u63ba\u6742\u5242\uff0c\u4e3a\u8bbe\u8ba1\u9ad8\u63ba\u6742\u7535\u89e3\u8d28\u63d0\u4f9b\u7406\u8bba\u4f9d\u636e\u3002<\/p>\n\n\n\n 4.BSS70 \u5728 \u4e25\u82db\u6761\u4ef6\uff0898% CO\u2082 + 2% H\u2082O\uff0c300\u00b0C\uff0c398 \u5c0f\u65f6\uff09\u4e0b\u65e0\u78b3\u9178\u5316\u6216\u5206\u89e3\uff08\u56fe 4b,c\uff09\u3002\u57fa\u4e8e BSS70 \u7684\u8d28\u5b50\u9676\u74f7\u71c3\u6599\u7535\u6c60\u5728 300\u00b0C \u4e0b\u5f00\u8def\u7535\u538b\u8fbe\u7406\u8bba\u503c\uff081.194 V\uff09\uff0c\u9a8c\u8bc1\u5176\u7eaf\u8d28\u5b50\u4f20\u5bfc\u6027\u4e0e\u7a33\u5b9a\u6027\uff08\u56fe 2c\uff09\u3002<\/p>\n\n\n\n \u56fe1\uff1a300\u00b0C\u4e0b\u63ba\u94aa\u94a1\u9521\u9178\u76d0\u548c\u94a1\u949b\u9178\u76d0\u7684\u8d28\u5b50\u4f20\u8f93\u6027\u80fd\u3002<\/p>\n\n\n\n \u56fe2\uff1aBaSn0.3Sc0.7O3\u2013\u03b4\u4e2d\u7684\u8d28\u5b50\u4f20\u5bfc\u4e0e\u6269\u6563\u3002<\/p>\n\n\n\n \u56fe3\uff1a\u5728\u63ba\u674260\u2009at.%<\/strong>\u94aa\u7684\u94a1\u94bd\u9178\u76d0\u4e2d\u7684\u8d28\u5b50\u6269\u6563\u53ca\u5176\u8f68\u8ff9\u3002<\/p>\n\n\n\n \u56fe4\uff1aBaSn0.3Sc0.7O3\u2212\u03b4\u7535\u89e3\u8d28\u7684\u7ed3\u6784\u4e0e\u5316\u5b66\u7a33\u5b9a\u6027\u3002<\/p>\n\n\n\n \u56fe5\uff1a\u91cd\u63ba\u94aa\u9499\u949b\u77ff\u4e2d\u76f8\u5173\u8d28\u5b50\u7684\u5feb\u901f\u4f20\u5bfc\u8def\u5f84\u53ca\u94aa\u6eb6\u89e3\u5ea6\u7684\u63cf\u8ff0\u7b26\u3002<\/p>\n\n\n\n<\/figure>\n\n\n\n
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