| 同步辐射软X射线吸收谱与发射谱测定天然针铁矿能带结构 |
| |
| 引用本文： | 丁聪,李艳,李岩,鲁安怀.同步辐射软X射线吸收谱与发射谱测定天然针铁矿能带结构[J].岩石矿物学杂志,2016,35(2):349-354. |
| |
| 作者姓名： | 丁聪 李艳 李岩 鲁安怀 |
| |
| 作者单位： | 造山带与地壳演化教育部重点实验室, 北京大学 地球与空间科学学院, 北京 100871;造山带与地壳演化教育部重点实验室, 北京大学 地球与空间科学学院, 北京 100871;造山带与地壳演化教育部重点实验室, 北京大学 地球与空间科学学院, 北京 100871;造山带与地壳演化教育部重点实验室, 北京大学 地球与空间科学学院, 北京 100871 |
| |
| 基金项目： | 国家重点基础研究发展计划(2014CB846001);国家自然科学基金重点项目(41230103);国家自然科学基金项目(41272003, 41522201) |
| |
| 摘 要： | 天然半导体矿物由于成分、缺陷复杂,传统测试方法如紫外可见漫反射等难以准确测定其禁带宽度.本文以针铁矿为例,通过第一性原理计算得到纯针铁矿及掺Al针铁矿的电子结构.计算结果显示,纯针铁矿导带底与价带顶均由Fe3d与O2p轨道组成,而当含杂质Al时,Al2p与O2p发生杂化参与了价带组成.在此基础上,利用同步辐射X射线氧的K边吸收谱与发射谱对纯针铁矿及天然针铁矿的能带结构进行了测定.结果表明,天然含Al的针铁矿禁带宽度为2.30eV,小于纯针铁矿(2.57eV).本研究提供了一种测定天然氧化物矿物禁带宽度的新方法,为深入研究天然半导体可见光催化活性产生机制提供了理论依据.
|
| 关 键 词： | 半导体矿物 针铁矿 同步辐射 吸收谱 发射谱 光催化 |
| 收稿时间： | 2015/9/16 0:00:00 |
| 修稿时间： | 2015/12/16 0:00:00 |
Electronic structure of natural goethite probed by soft X-ray emission and absorption spectroscopy |
| |
| DING Cong,LI Yan,LI Yan and LU An-huai.Electronic structure of natural goethite probed by soft X-ray emission and absorption spectroscopy[J].Acta Petrologica Et Mineralogica,2016,35(2):349-354. |
| |
| Authors: | DING Cong LI Yan LI Yan and LU An-huai |
| |
| Institution: | Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, School of Earth and Space Sciences, Peking University, Beijing 100871, China;Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, School of Earth and Space Sciences, Peking University, Beijing 100871, China;Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, School of Earth and Space Sciences, Peking University, Beijing 100871, China;Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, School of Earth and Space Sciences, Peking University, Beijing 100871, China |
| |
| Abstract: | In this study, the authors investigated the electronic structures of natural goethite FeOOH by first principle theory and synchrotron soft X-ray emission and absorption spectroscopy. The results show that the band gap of natural goethite FeOOH is 2.30 eV, smaller than the band gap of pure goethite FeOOH (2.57 eV). Due to the complex compositions and plenty of defects, the band structure of natural minerals is hard to measure by traditional methods, such as UV-Vis. The results supply a new way for determining the band structure of natural semiconductor minerals and also provide a basis for better understanding of photocatalytic mechanism of them under visible light. |
| |
| Keywords: | semiconductor mineral goethite synchrotron adsorption and emission spectroscopy photocatalysis |
| 本文献已被 CNKI 等数据库收录！ |
| 点击此处可从《岩石矿物学杂志》浏览原始摘要信息 |
| 点击此处可从《岩石矿物学杂志》下载免费的PDF全文 |
|
