| N掺杂TiO_2的催化活性与电子结构关系探究 |
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| 引用本文： | 戴冬梅,周晶,曲亚栋,高洪涛. N掺杂TiO_2的催化活性与电子结构关系探究[J]. 计算机与应用化学, 2009, 26(6) |
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| 作者姓名： | 戴冬梅 周晶 曲亚栋 高洪涛 |
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| 作者单位： | 1. 青岛科技大学化学与分子工程学院,山东,青岛,266042
2. 青岛科技大学化学与分子工程学院,山东,青岛,266042;济宁学院化学系,山东,济宁,273100 |
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| 基金项目： | 山东省自然科学基金，山东省优秀中青年科学家科研奖励基金，山东省教育厅科技计划 |
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| 摘 要： | 以钛酸四丁酯和三乙醇胺为主要原料,采用钛溶胶水热合成方法,制备氮掺杂锐钛矿型纳米TiO2.利用XRD、DRS对其进行表征,以甲基橙为目标物,研究产物的光降解活性.实验结果表明,N掺杂造成了 TiO2的晶格缺陷,禁带宽度减小,光响应范围红移,光催化活性增强.从第一性原理出发,结合密度泛函理论计算,探讨N掺杂.TiO2的电子结构,发现其能带结构中出现了杂质能级,这可以很好地解释N掺杂TiO2光响应波长范围红移和光降解效果优于P25的实验观测结果.
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| 关 键 词： | 纳米TiO2 氮掺杂 光催化 电子结构 |
The study of relation of photocatalytic activity and electronic structure of Ndoped TiO_2 |
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| Dai Dongmei,Zhou Jing,Qu Yadong,GAO Hongtao. The study of relation of photocatalytic activity and electronic structure of Ndoped TiO_2[J]. Computers and Applied Chemistry, 2009, 26(6) |
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| Authors: | Dai Dongmei Zhou Jing Qu Yadong GAO Hongtao |
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| Affiliation: | 1;2*;1.College of Chemistry and Molecular Engineering;Qingdao University of Science & Technology;Qingdao;266042;Shandong;China;2.Department of Chemistry;Jining University;Jining;273100;China |
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| Abstract: | Anatase N-doped TiO_2 photocatalysts were prepared by the hydrothermal method with tetra-n-butyl titanate(TTNB) and triethanolamine as precursors.The obtained samples were characterized by X-ray diffraction(XRD) and UV-visible diffuse reflectance spectra(DRS),respectively.Photocatalytic activities of the anatase products were investigated on the degradation of methyl orange (MO).Nitrogen doping resulted in crystal defects,with the band gap(R_g) decreasing and the absorption shoulder having been extended int... |
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| Keywords: | nano-TiO2 N-doping photocatalysis electronic structure |
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