| 金属Cd~(2+)掺杂TiO_2纳米颗粒的制备及能级结构的影响机理 |
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| 引用本文： | 谭云风,张超,严正权,徐洪耀.金属Cd~(2+)掺杂TiO_2纳米颗粒的制备及能级结构的影响机理[J].功能材料,2010,41(11). |
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| 作者姓名： | 谭云风 张超 严正权 徐洪耀 |
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| 作者单位： | 东华大学材料科学与工程学院;纤维材料改性国家重点实验室; |
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| 基金项目： | 国家自然科学基金资助项目，教育部博士培养基金资助项目，上海市重点学科项目经费资助项目，教育部"111引智工程"资助项目 |
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| 摘 要： | 采用溶胶-凝胶法制备了Cd2+掺杂改性TiO2纳米颗粒,利用XRD、TEM、XPS和UV-Vis光谱对掺杂前后颗粒的结构和性能进行了表征。结果表明,溶胶-凝胶法制备的Cd2+掺杂TiO2纳米颗粒主要为锐钛矿相,粒径尺寸在20nm左右,掺杂前后TiO2的尺寸和形貌没有明显变化;结构表征和光谱测试结果发现,Cd元素在TiO2纳米颗粒中部分取代TiO2晶格中的Ti元素,以Cd2+的形式存在,形成Cd—O键,使TiO2纳米颗粒的吸收带边红移,降低了TiO2的禁带宽度。并且采用基于密度泛函理论的第一性原理对Cd掺杂TiO2进行了能级结构的模拟计算,发现理论结果与实验结果有较好一致性。
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| 关 键 词： | TiO2纳米颗粒 Cd掺杂 能级结构 密度泛函理论 |
Preparation of Cd2+-doped TiO2 nanopaticle and influence mechanism of their energy level structure |
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| TAN Yun-feng,ZHANG Chao,YAN Zheng-quan,XU Hong-yao.Preparation of Cd2+-doped TiO2 nanopaticle and influence mechanism of their energy level structure[J].Journal of Functional Materials,2010,41(11). |
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| Authors: | TAN Yun-feng ZHANG Chao YAN Zheng-quan XU Hong-yao |
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| Affiliation: | TAN Yun-feng,ZHANG Chao,YAN Zheng-quan,XU Hong-yao(College of Material Science and Engineering &State Key Laboratory for Modification of Chemical Fibers and Polymeric Materials,Donghua University,Shanghai 201620,China) |
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| Abstract: | Cd2+ -doped TiO2 nanoparticles were prepared via sol-gel methods.These samples were characterized by X-ray diffraction(XRD),transmission electron microscopy(TEM),X-ray photoelectron spectroscopy(XPS),and UV-Vis diffuse reflectance spectroscopy(DRS).The results indicate that all the resultant undoped TiO2 nanoparticles consist of anatase crystallites with a size of 20nm,which the mothology and size were not significantly affected by doping at low doping concentration.XPS results showed that Cd replaced Ti in... |
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| Keywords: | TiO2 nanoparticles Cd2 -doped energy level structure DFT |
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