| 氮掺杂二氧化钛粉体的制备及掺杂机理研究 |
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| 引用本文： | 于洋洋,于美燕,张玥,孙伟伟,刘盈.氮掺杂二氧化钛粉体的制备及掺杂机理研究[J].无机化学学报,2013,29(18). |
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| 作者姓名： | 于洋洋 于美燕 张玥 孙伟伟 刘盈 |
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| 作者单位： | 中国海洋大学材料科学与工程研究院, 青岛 266100;中国海洋大学材料科学与工程研究院, 青岛 266100;中国海洋大学材料科学与工程研究院, 青岛 266100;中国海洋大学材料科学与工程研究院, 青岛 266100;中国海洋大学材料科学与工程研究院, 青岛 266100 |
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| 基金项目： | 国家自然科学基金(No.51072188,No.21203171)资助项目。 |
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| 摘 要： | 以钛酸四丁酯为钛源,尿素为氮源制备了N掺杂二氧化钛粉体。采用X射线衍射、透射电镜和紫外-可见吸收光谱对粉体晶粒尺寸、物相及光吸收性质进行了表征。结果表明,N掺杂有效抑制了二氧化钛晶粒的长大,并使TiO2光吸收效果大大提高。采用密度泛函方法对掺杂机理进行研究证明,N掺杂有效减小了TiO2带隙宽度,使吸收谱红移,相比替位氮掺杂,间隙氮掺杂更有利于提高光吸收效率。
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| 关 键 词： | 氮掺杂 密度泛函 替位氮 间隙氮 |
| 修稿时间： | 5/6/2013 12:00:00 AM |
Preparation and Mechanism of N-Doped TiO2 Powders |
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| YU Yang-Yang,YU Mei-Yan,ZHANG Yue,SUN Wei-Wei and LIU Ying.Preparation and Mechanism of N-Doped TiO2 Powders[J].Chinese Journal of Inorganic Chemistry,2013,29(18). |
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| Authors: | YU Yang-Yang YU Mei-Yan ZHANG Yue SUN Wei-Wei and LIU Ying |
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| Institution: | Institute of Material Science and Engineering, Ocean University of China, Qingdao 266100, China;Institute of Material Science and Engineering, Ocean University of China, Qingdao 266100, China;Institute of Material Science and Engineering, Ocean University of China, Qingdao 266100, China;Institute of Material Science and Engineering, Ocean University of China, Qingdao 266100, China;Institute of Material Science and Engineering, Ocean University of China, Qingdao 266100, China |
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| Abstract: | N-doped TiO2 powers have been prepared using tetrabutyl titanate and urea. The properties of phase/size/absorbance were characterized by means of X-ray diffraction (XRD), transmission electron microscopy (TEM), UV-Vis absorption spectroscopy. The results indicate that particle size of N-doped TiO2 decreased and the absorption effect increased greatly. In order to prove the experimental results, we studied the doping mechanism using DFT. The band gap has been decreased effectively because of doping. Compared with substitutional N-doped TiO2, interstitial N-doped TiO2 is more beneficial to the light absorption. |
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| Keywords: | N-doped DFT substitutional N interstitial N |
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