{"id":19710,"date":"2016-06-15T15:00:09","date_gmt":"2016-06-15T07:00:09","guid":{"rendered":"\/\/m.iemloyee.com\/?p=19710"},"modified":"2016-06-25T22:01:44","modified_gmt":"2016-06-25T14:01:44","slug":"%e5%ad%a6%e6%9c%af%e5%b9%b2%e8%b4%a7-%e9%85%b7%e5%a4%8f%ef%bc%8c%e6%9d%a5%e4%b8%80%e5%9c%bax%e5%b0%84%e7%ba%bf%e5%90%b8%e6%94%b6%e5%85%89%e8%b0%b1%e7%9a%84%e6%b5%b7%e6%b4%8b","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=19710","title":{"rendered":"\u5b66\u672f\u5e72\u8d27 | \u9177\u590f\uff0c\u6df1\u6316\u72c2\u635e\u201cX\u5c04\u7ebf\u5438\u6536\u5149\u8c31\u201d\u77e5\u8bc6"},"content":{"rendered":"

\"slide_11\"<\/a>
\n<\/a>1) \u4ec0\u4e48\u662fXAS<\/span><\/strong><\/p>\n

XAS\u662fX-ray Absorbtion Spectra\u7684\u7f29\u5199\uff0c\u5168\u79f0\u4e3aX\u5c04\u7ebf\u5438\u6536\u5149\u8c31\u3002X\u5c04\u7ebf\u900f\u8fc7\u6837\u54c1\u540e\uff0c\u5176\u5f3a\u5ea6\u53d1\u751f\u8870\u51cf\u4e14\u5176\u8870\u51cf\u7a0b\u5ea6\u4e0e\u6750\u6599\u7ed3\u6784\u3001\u7ec4\u6210\u6709\u5173\u3002\u8fd9\u79cd\u7814\u7a76\u900f\u5c04\u5f3a\u5ea6I\u4e0e\u5165\u5c04X\u5c04\u7ebf\u5f3a\u5ea6Io<\/sub>\u4e4b\u95f4\u7684\u5173\u7cfb\uff0c\u79f0\u4e3aX\u5c04\u7ebf\u5438\u6536\u5149\u8c31\uff1b\u7531\u4e8e\u5176\u900f\u5c04\u5149\u5f3a\u4e0e\u5143\u7d20\u3001\u539f\u5b50\u8d28\u91cf\u6709\u5173\uff0c\u6545\u53ef\u4ee5\u7528\u4e8e\u5143\u7d20\u7684\u5b9a\u6027\uff0c\u751a\u81f3\u5b9a\u91cf\u5206\u6790\u3002
\n\"111\"<\/a><\/p>\n

\u6ce8\uff1a\u5f3a\u5ea6\u8870\u51cf\u6765\u6e90\u4e8e\u6750\u6599\u5bf9X\u5c04\u7ebf\u7684\u5438\u6536\u548c\u6563\u5c04\uff0c\u5176\u79cd\u5438\u6536\u4f5c\u7528\u8fdc\u5927\u4e8e\u6563\u5c04\u4f5c\u7528\uff1b
\n\u6563\u5c04\u662f\u53d1\u751f\u884d\u5c04\u7684\u57fa\u7840\uff0c\u53ef\u4ee5\u7528\u6676\u4f53\u7ed3\u6784\u5206\u6790\uff1b
\n\u5438\u6536\u4e0e\u5143\u7d20\u3001\u5316\u5408\u4ef7\u6709\u5173\u53ef\u7528\u4e8e\u6750\u6599\u7684\u6210\u5206\u3001\u4ef7\u6001\u5206\u6790\u3002
\n<\/a>
\n\u00a0 2\uff09XAS\u6807\u51c6\u56fe\u8c31<\/strong><\/span><\/p>\n

\u4e0b\u9762\u4ee5Cu\u7684XAS\u56fe\u8c31\u4e3a\u4f8b\uff0c\u5206\u6790\u5176\u56fe\u8c31\u4fe1\u606f
\n\"3\"
\n\u4ece\u56fe\u4e2d\u6211\u4eec\u770b\u51fa\uff0c XAS\u56fe\u8c31\u4e3b\u8981\u7531\u4e24\u90e8\u5206\u7ec4\u6210\uff1a1)\u5438\u6536\u7cfb\u6570\u5e73\u6ed1\u4e0b\u964d\u533a(\u865a\u7ebf1-2\u4e4b\u95f4);2)\u5438\u6536\u7cfb\u6570\u7a81\u53d8\u533a(\u865a\u7ebf3\u5904)\u3002
\n\u5e73\u6ed1\u4e0b\u964d\u533a\uff1a\u968f\u7740\u5165\u5c04\u5149\u80fd\u91cf\u7684\u589e\u5927\uff0c\u5176\u5438\u6536\u7cfb\u6570\u964d\u4f4e\uff0c\u6070\u597d\u5bf9\u5e94\u7740\u56fe\u4e00\u03bc\u4e0eE\u7684\u5173\u7cfb\u5f0f\uff0c\u8be5\u6bb5\u5bf9\u5e94\u7740\u539f\u5b50\u5438\u6536\uff1b
\n\u7a81\u53d8\u533a\uff1a\u5728\u5149\u5b50\u80fd\u91cf\u8fbe\u5230\u4e00\u5b9a\u503c\u540e\uff0c\u5176\u5438\u6536\u7cfb\u6570\u5448\u9636\u68af\u589e\u957f\uff0c\u6b64\u65f6\u5bf9\u5e94\u7740\u539f\u5b50\u5185\u5c42\u7535\u5b50\u8dc3\u8fc1\u3002\u8fd9\u662f\u56e0\u4e3a\u5f53\u5149\u5b50\u80fd\u91cf\u4e0e\u7535\u5b50\u5c42\u8dc3\u8fc1\u80fd\u91cf\u76f8\u7b49\u65f6\uff0c\u5149\u5b50\u88ab\u539f\u5b50\u5171\u632f\u5438\u6536\uff0c\u5438\u6536\u5f3a\u5ea6\u5927\u5927\u589e\u5f3a\uff0c\u8868\u73b0\u4e3a\u5438\u6536\u7cfb\u6570\u7a81\u53d8
\n\u6ce8\uff1a\u53d1\u751f\u5438\u6536\u7cfb\u6570\u7a81\u53d8\u65f6\u7684\u6ce2\u957f\u79f0\u4e3a\u5438\u6536\u8fb9\uff0c\u4e5f\u6210\u4e3a\u5438\u6536\u9650\uff1b<\/p>\n

\u00a03\uff09XAFS\u56fe\u8c31
\n<\/span><\/strong>\"slide2\"<\/a><\/p>\n

\u5982\u679c\u4ee5\u8db3\u591f\u5c0f\u7684\u80fd\u91cf\u6b65\u957f\uff0c\u4ed4\u7ec6\u6d4b\u91cf\u5438\u6536\u8fb9\u9644\u8fd1Cu\u7684\u5438\u6536\u8c31\u5c31\u4f1a\u53d1\u73b0\u5176\u5438\u6536\u7cfb\u6570\u5728\u5438\u6536\u8fb9\u9644\u8fd1\u5e76\u975e\u5355\u8c03\u4e0b\u964d\u800c\u662f\u6709\u632f\u8361\u3002\u8fd9\u79cd\u632f\u8361\u6765\u6e90\u4e8eX\u5c04\u7ebf\u6fc0\u53d1\u7684\u5149\u7535\u5b50\u88ab\u5468\u56f4\u914d\u4f4d\u539f\u5b50\u6563\u5c04\u5bfc\u81f4X\u5c04\u7ebf\u5438\u6536\u5f3a\u5ea6\u968f\u80fd\u91cf\u53d1\u751f\u632f\u8361\u3002\u56e0\u8fd9\u79cd\u632f\u8361\u4e0e\u6750\u6599\u7684\u7535\u5b50\u3001\u51e0\u4f55\u7ed3\u6784\u6709\u5173\uff0c\u6545\u79f0\u4e3aX\u5149\u5438\u6536\u8c31\u7684\u7cbe\u7ec6\u7ed3\u6784\u3002\uff08XAFS X-ray Absorbtion Fine Structure\uff09<\/p>\n

\"7-1\"
\n4\uff09XAFS\u7ec4\u6210
\n<\/span><\/strong>
\n\u6839\u636e\u4f5c\u7528\u673a\u7406\u548c\u5cf0\u5f62\u72b6\u7684\u4e0d\u540c\uff0c\u901a\u5e38\u628aXAFS\u5212\u5206\u4e3a\u4e24\u4e2a\u533a\u57df(\u89c1\u4e0b\u56fe)\uff1a
\n1) \u5438\u6536\u8fb9\u524d-\u5438\u6536\u8fb9\u4ee5\u4e0a50eV\uff1a\u79f0\u4e3aX\u5c04\u7ebf\u5438\u6536\u8fd1\u8fb9\u7ed3\u6784\uff08X-ray Absorption Near Edge Structure XANES\uff09\u6216\u8fd1\u8fb9X\u5c04\u7ebf\u5438\u6536\u7cbe\u7ec6\u7ed3\u6784\uff08 Near-Edge X-ray Absorption Fine Structure \uff0cNEXAFS \uff09\u540e\u8005\u591a\u7528\u4e8e\u79f0\u547cZ\u539f\u5b50\u7cfb\u6570\u7684\u8fd1\u8fb9\u7ed3\u6784\u3002
\nXANES\u5bf9\u5e94\u7740\uff1a\u4f4e\u80fd\u5149\u7535\u5b50\u5728\u914d\u4f4d\u539f\u5b50\u505a\u591a\u6b21\u6563\u5c04\u540e\u518d\u56de\u5230\u5438\u6536\u539f\u5b50\u4e0e\u51fa\u5c04\u6ce2\u53d1\u751f\u5e72\u6d89\u5f62\u6210\uff0c\u7279\u70b9\u662f\u5f3a\u632f\u8361
\n2)\u5438\u6536\u8fb9\u4ee5\u4e0a50eV-1000eV\u533a\u57df\uff1a\u79f0\u4e3a\u6269\u5c55X\u5c04\u7ebf\u5438\u6536\u7cbe\u7ec6\u7ed3\u6784 (Extended X-ray Absorption Fine Structure\uff0c EXAFS)
\nEXAFS\u5bf9\u5e94\u7740\uff1a\u9ad8\u80fd\u5149\u5b50\u88ab\u5438\u6536\u539f\u5b50\u5468\u56f4\u7684\u914d\u4f4d\u539f\u5b50\u505a\u5355\u6563\u5c04\u56de\u5230\u5438\u6536\u539f\u5b50\u4e0e\u51fa\u5c04\u6ce2\u5e72\u6d89\u5f62\u6210\uff0c\u7279\u70b9\u662f\u632f\u5e45\u4e0d\u5927\uff0c\u4f3c\u6b63\u5f26\u6ce2\u52a8\u3002
\n\u6ce8\uff1a\u4e4b\u6240\u4ee5EXAFS\u6765\u81ea\u4e8e\u5149\u5b50\u7684\u5355\u6563\u5c04\u800cXANES\u6765\u6e90\u4e8e\u591a\u6563\u5c04\uff0c\u662f\u56e0\u4e3a\u52a8\u80fd\u8f83\u5927\u7684\u5149\u5b50\u53d7\u5468\u56f4\u73af\u5883\/\u8fd1\u90bb\u914d\u4f4d\u539f\u5b50\u5f71\u54cd\u8f83\u5c0f\uff0c\u4e00\u822c\u53ea\u88ab\u8fd1\u90bb\u914d\u4f4d\u539f\u5b50\u5355\u6563\u5c04\u3002\uff08XAS\u8c31\u4e0a\uff0cEXAFS\u7684\u80fd\u91cf\u6bd4XANES\u9ad8\uff09
\n\"2\"<\/a>
\n5\uff09EXAFS\u5f71\u54cd\u56e0\u7d20
\n<\/span><\/strong>
\n\u7531\u4e8eEXAFS\u6765\u6e90\u4e8e\u9ad8\u80fd\u5149\u5b50\u88ab\u5438\u6536\u539f\u5b50\u5468\u56f4\u7684\u914d\u4f4d\u539f\u5b50\u505a\u5355\u6563\u5c04\u4e0e\u51fa\u5c04\u6ce2\u5e72\u6d89\u5f62\u6210\uff0c\u6240\u4ee5\u5176EXAFS\u8c31\u4e0e\u5468\u56f4\u539f\u5b50\u7684\u5b58\u5728\u5f62\u5f0f\u6709\u5173\uff0c\u4e14\u76f8\u5173\u5f71\u54cd\u5982\u4e0b \uff1a
\n1. \u5468\u56f4\u539f\u5b50\u4e0e\u5438\u6536X\u5149\u5b50\u7684\u539f\u5b50\u4e4b\u95f4\u7684\u8ddd\u79bb\u3002
\n\u8ddd\u79bb\u4e0d\u540c\uff0c\u53cd\u5c04\u6ce2\u4e0e\u521d\u59cb\u6ce2\u7684\u4f4d\u76f8\u5dee\u4e0d\u540c\uff0c\u4e14\u6b64\u4f4d\u76f8\u5dee\u4e0e\u95f4\u8ddd\u548c\u6ce2\u957f\u7684\u4e58\u79ef\u6210\u6b63\u6bd4\uff0c\u6240\u4ee5\u4ee5\u6ce2\u77e2\u4e3a\u81ea\u53d8\u91cf\u7684EXAFS\u632f\u8361\u9891\u7387\u5c31\u4e0e\u6b64\u95f4\u8ddd\u79bb\u6210\u6b63\u6bd4\u3002
\n2. \u5468\u56f4\u539f\u5b50\u7684\u4e2a\u6570\u3002
\n\u4e2a\u6570\u4e0d\u540c\uff0c\u53cd\u5c04\u6ce2\u7684\u5f3a\u5ea6\u4e0d\u540c\uff0c\u9020\u6210EXAFS\u632f\u8361\u5e45\u5ea6\u4e0d\u540c\u3002
\n3. \u5468\u56f4\u539f\u5b50\u7684\u79cd\u7c7b\u3002
\n\u79cd\u7c7b\u4e0d\u540c\uff0c\u5728\u6b64\u539f\u5b50\u4e0a\u53cd\u5c04\u6ce2\u7684\u76f8\u79fb\u548c\u5f3a\u5ea6\u5c31\u4e0d\u540c\uff0c\u4f7fEXAFS\u632f\u8361\u7684\u5e45\u5ea6\u548c\u9891\u7387\u90fd\u53d1\u751f\u5fae\u5c0f\u7684\u53d8\u5316\u3002
\n\u7531\u4e8eEXAFS\u8c31\u4e0e\u4e0a\u8ff0\u56e0\u7d20\u6709\u5173\uff0c\u901a\u8fc7EXAFS\u8c31\u7684\u5206\u6790\u53ef\u4ee5\u5f97\u5230\u7269\u8d28\u4e2d\u67d0\u539f\u5b50\u5468\u56f4\u7684\u539f\u5b50\u914d\u4f4d\u60c5\u51b5\uff0c\u5305\u62ec\uff1a\u914d\u4f4d\u8ddd\u79bb\u3001\u914d\u4f4d\u6570\u53ca\u914d\u4f4d\u539f\u5b50\u79cd\u7c7b\u3002\u5728\u5b9e\u9645\u4e2d\u8fd9\u79cd\u4e9a\u539f\u5b50\u5206\u8fa8\u7387\u8bc6\u522b\u5341\u5206\u6709\u7528\u3002<\/p>\n

\u00a06\uff09EXAFS\u7279\u70b9
\n<\/span><\/strong>
\n1\uff09\u5177\u6709\u539f\u5b50\u9009\u62e9\u6027\uff1b
\n2\uff09\u80fd\u591f\u4ee5\u4e9a\u539f\u5b50\u5206\u8fa8\u7387\u63d0\u4f9b\u5438\u6536\u539f\u5b50\u5468\u56f4\u7684\u5c40\u57df\u7ed3\u6784\u4fe1\u606f\uff1b
\n3\uff09\u6240\u6709\u539f\u5b50\u5bf9XAS\u90fd\u662f\u76f8\u5e94\u7684\uff1b
\n4\uff09\u5bf9\u6837\u54c1\u7684\u72b6\u6001\u65e0\u7279\u6b8a\u8981\u6c42\uff0c\u53ef\u4ee5\u662f\u56fa\u3001\u6db2\u3001\u6c14\u4f53\uff0c\u4e5f\u53ef\u4ee5\u662f\u6676\u4f53\u548c\u975e\u6676\u4f53\u3002 (EXAFS\u5bf9\u5e94\u7740\u539f\u5b50\u7684\u8fd1\u90bb\u7ed3\u6784\uff0c\u4e0d\u8981\u6c42\u957f\u7a0b\u6709\u5e8f)
\n5\uff09\u53ef\u4ee5\u548cXRD\u7b49\u5176\u4ed6\u6280\u672f\u7ed3\u5408\u4f7f\u7528\uff0c\u4e92\u4e3a\u8865\u5145\u548c\u9a8c\u8bc1<\/p>\n

7\uff09EXAFS\u5c40\u9650\u6027
\n<\/span><\/strong>
\n1) EXAFS\u4fe1\u566a\u6bd4\u8981\u6bd4XANES\u5dee100\u500d\uff1b(\u4fe1\u566a\u6bd4:\u4fe1\u53f7\u4e0e\u566a\u58f0\u5f3a\u5ea6\u7684\u6bd4\u4f8b\uff0c\u4e00\u822c\u4fe1\u566a\u6bd4\u8d8a\u5927\uff0c\u53d7\u566a\u97f3\u7684\u5f71 \u54cd\u8d8a\u5c0f)
\n2\uff09EXAFS\u5bf9\u65e0\u5e8f\u4f53\u7cfb\u4e0d\u654f\u611f\uff1b(\u8868\u73b0\u4e3a\u8f83\u96be\u533a\u5206\u65e0\u5e8f\u5ea6\u8f83\u5f3a\u4f53\u7cfb\u4e2d\u7684\u539f\u5b50\u72b6\u6001)
\n3\uff09EXAFS\u53ea\u80fd\u7ed9\u51fa\u5e73\u5747\u4fe1\u606f\uff08\u6bd4\u5982\u4e00\u4e2a0.19nm\u7684\u952e\u4e0e5\u4e2a0.20nm\u7684\u952e\u6df7\u5408\u4e3a\u58f3\u5c42\u65f6\uff0c\u53ea\u5f97\u5230\u914d\u4f4d\u6570\u4e3a6 \u548c\u5e73\u5747\u952e\u957f\u4e3a0.20nm\uff0c\u6839\u672c\u201c\u770b\u201d\u4e0d\u52300.19nm\u8fd9\u4e2a\u6709\u201c\u610f\u4e49\u201d\u7684\u7ed3\u679c\uff09
\n4\uff09EXAFS\u53ea\u80fd\u7ed9\u51fa\u5e73\u9762\u5e73\u5747\u7ed3\u6784\uff08\u5f53\u914d\u4f4d\u6570\u4e3a4\u65f6\uff0c\u5f88\u96be\u533a\u5206\u662f\u56db\u9762\u4f53\u3001\u6216\u4e09\u83f1\u9525\u3002\u8fd9\u662f\u56e0\u4e3aEXAFS\u4fe1 \u53f7\u6765\u6e90\u4e8e\u5355\u539f\u5b50\u80cc\u6563\u5c04\u4fe1\u53f7\uff0c\u65e0\u6cd5\u63d0\u4f9b\u7acb\u4f53\u4fe1\u606f\uff09
\n5)EXAFS\u6709\u65f6\u4e0d\u80fd\u7ed9\u51fa\u7ed3\u6784\u7684\u7ec6\u5fae\u53d8\u5316\uff1b
\n\u6709\u65f6\u5019EXAFS\u751a\u81f3\u5206\u8fa8\u4e0d\u51fa\u914d\u4f4d\u6570\u7684\u5dee\u5f02<\/p>\n

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

8\uff09NEXAS\u56fe\u8c31
\n<\/span><\/strong>
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\n\u5b9e\u9645\u4e2dNEXAS\u6839\u636e\u4fe1\u53f7\u673a\u7406\u548c\u56fe\u8c31\u5f62\u72b6\u7684\u4e0d\u540c\uff0c\u5e38\u5206\u6210\u4e09\u90e8\u5206(\u6bcf\u4e00\u90e8\u5206\u5728\u5b9e\u9645\u4e2d\u90fd\u53ef\u4ee5\u5355\u72ec\u4f7f\u7528)\uff0c\u4e14\u7531\u4e8e\u6bcf\u4e00\u6bb5\u7684\u673a\u7406\u4e0d\u540c\uff0c\u7ed9\u51fa\u7684\u4fe1\u606f\u4e5f\u6709\u6240\u4e0d\u540c\u3002<\/p>\n

<\/p>\n

9\uff09XANES\u4e0eEXAFS\u4e4b\u95f4\u7684\u4e0d\u540c
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\n3) XANES\u5bf9\u4ef7\u6001\u3001\u672a\u5360\u636e\u7535\u5b50\u8f68\u9053\u548c\u7535\u8377\u8f6c\u79fb\u7b49\u5316\u5b66\u4fe1\u606f\u66f4\u4e3a\u654f\u611f\uff1b
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10\uff09XANES\u7684\u6570\u636e\u5904\u7406\u4e0e\u5206\u6790\u8f6f\u4ef6<\/span><\/strong>
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\u5176\u6570\u636e\u5904\u7406\uff0c\u76ee\u524d\u4e3b\u8981\u4f7f\u7528\uff1aContinumm\uff0cMXAN\uff0cFeff\uff0cGNXAS\u7b49\u3002 Feff\u5e94\u7528\u8f83\u591a\uff0cContinumm\u662f\u6700\u65e9\u7684\u4e00\u6b3e\u7528\u4e8eXANES\u5206\u6790\u7684\u5de5\u5177\u3002<\/p>\n

XAS\u7406\u8bba\u8f83\u591a\uff0c\u5176\u5206\u6790\u4e5f\u66f4\u4e3a\u6666\u6da9\uff0c\u76f8\u5173\u8d44\u6599\u4f1a\u4e0a\u4f20\u5230\u6750\u6599\u4eba\u8bba\u575b\u4e2d\uff0c\u6b22\u8fce\u5927\u5bb6\u4e0b\u8f7d\u3002\u7406\u8bba\u90e8\u5206\u76f8\u5bf9\u67af\u71e5\uff0c\u5728\u4e0b\u671f\u7b14\u8005\u5c06\u4f1a\u7ed3\u5408\u6587\u732e\u8bb2\u4e00\u4e0b\u300aXAS\u5728\u6750\u6599\u8868\u5f81\u4e2d\u7684\u6df1\u5ea6\u5e94\u7528\u300b<\/strong>\uff0c\u6b22\u8fce\u8bfb\u8005\u4ea4\u6d41\uff0c\u6279\u8bc4\u3001\u6307\u6b63\u3002<\/p>\n

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