Mg-Al 类水滑石/二氧化钛异质复合纳米晶光催化氧化苯的性能

 采用过饱和沉淀法合成 n(Mg)/n(Al) = 2 的 Mg-Al 类水滑石化合物 (Mg-Al-HT), 再用水热法将它与钛胶复合, 制得 Mg-Al-HT/TiO2 异质复合光催化剂. 采用 X 射线粉末衍射、透射电子显微镜、场发射扫描电子显微镜、低温 N2 吸附-脱附、紫外-可见漫反射光谱和热重等技术对催化剂结构、成分和性质进行了表征. 结果表明, 在波长 365 nm 的紫外光照射降解苯的反应中, Mg-Al-HT/TiO2 异质复合光催化剂表现出优于单一的 TiO2 或 Mg-Al-HT 催化剂的光催化活性, 且稳定性更高; 同时讨论了该复合催化剂性能优异的原因. 另外, 运用电子顺磁共振技术检测到体系中存在羟基自由基等活性物种, 并据此提出了 Mg-Al-HT/TiO2 异质复合纳米晶催化剂光催化降解苯的反应机理.     

Density functional theory study of CO catalytic oxidation on Co_2B_2/TiO_2（110） surface

Titanium dioxide with CoB amorphous alloys nanoparticles deposited on the surface is known to exhibit higher catalytic activity than the CoB amorphous. A study of the structure of such system is necessary to understand this effect. A quantum chemical study of Co2B2 on the TiO2 (110) surface was studied using periodic slab model within the framework of density functional theory (DFT). The results of geometry optimization indicated that the most stable model of adsorption was Co2B2 cluster adsorbed on the hollow site of TiO2.The adsorption energy calculated for Co2B2 on the hollow site was 439.3 kJ/mol.The adsorption of CO and O2 was further studied and the results indicated that CO and O2 are preferred to adsorb on the Co2 site. Co-adsorption of CO and O2 shows that Co2B2/TiO2 is a good catalyst for the oxidation of CO to carbon dioxide in the presence of oxygen.     

AgBr/TiO_2异质结型复合可见光催化剂的制备及其光催化活性

以钛酸四丁酯、KBr、AgNO3为前体,合成了具有异质结结构的纳米AgBr/Ti O2复合可见光催化剂.利用XRD、TEM、HRTEM和UV-Vis等方法对催化剂的晶相组成、形貌、粒度、微观结构、吸光性能等进行了表征.光催化降解亚甲基蓝活性结果表明,复合与单组分催化剂的光催化活性顺序为:AgBr/Ti O2AgBrAg-Br/P25P25Ti O2.含光敏剂AgBr的复合及单组份催化剂由于具有对可见光的良好吸收性能而具有较高的光催化活性.对于AgBr/Ti O2光催化剂,随mAgNO3/mTi O2比的增加,光催化活性先增强后减弱,当mAgNO3/mTi O2=3.35时光催化活性最高,分析结果表明,该复合催化剂粒径约15 nm,分散均匀且形成了紧密接触的AgBr/Ti O2异质结微结构,在紫外可见区(250～800 nm)都具有最强的光吸收.     

常压干燥法制备铁掺杂二氧化钛气凝胶

以钛酸四丁酯(TRIP)为原料、硝酸铁为掺杂剂、冰醋酸为催化剂、甲酰胺为干燥控制化学添加剂,采用溶胶-凝胶法制备Fe3+掺杂TiO2醇凝胶,并结合常压干燥工艺,实现了Fe3+掺杂TiO2气凝胶的常压干燥法制备.采用XRD、BET、SEM、IR等对样品进行检测.结果表明:制备态Fe3+掺杂TiO2气凝胶密度为0.24 g/cm3,比表面积为529.17 m2/g,平均孔径约为20.10 nm,晶型为无定形;经850℃空气气氛下煅烧2h后,样品转变为锐钛矿型结构,平均孔径增大到22.32 nm,比表面积为136.22 m2/g.通过甲基橙溶液光催化降解实验,相比未掺杂二氧化钛气凝胶,掺入nFe∶nTi=0.05时,样品具有更高的光催化性能.     

Sol-gel制备的Yb3+,Er3+掺杂光致发光膜及其上转换光致发光性能

以钛酸正丁酯、异丙醇、硝酸镱和硝酸铒为起始原料,乙酰丙酮为络合剂,硝酸为催化剂,采用溶胶-凝胶法和旋转镀膜工艺制备出无掺杂和镱、铒共掺杂二氧化钛光致发光薄膜。利用接触角测定仪测定玻璃基底和溶剂之间的接触角,通过TG、XRD和FESEM分别对溶胶溶液或薄膜样品进行热分析、物相分析和特征形貌表征,研究了掺杂元素、不同煅烧温度对薄膜物相组成的影响。结果表明:异丙醇与玻璃基底的接触角最小,被选为最佳溶剂。当煅烧温度达到700 ℃且保温2 h时,可得到晶型较好的无掺杂和镱、铒共掺杂薄膜,其颗粒形貌为球形结构,平均尺寸不大于50 nm,薄膜表面均匀致密且较光滑。荧光分光光度计的测试结果表明,镱、铒共掺杂薄膜具有较强的光致发光性能。     

Electronic structures and optical properties of TiO2:Improved density-functional-theory investigation

TiO2 has been recently used to realize high-temperature ferromagnetic semiconductors.In fact,it has been widely used for a long time as white pigment and sunscreen because of its whiteness,high refractive index,and excellent optical properties.However,its electronic structures and the related properties have not been satisfactorily understood.Here,we use Tran and Blaha＇s modified Becke-Johnson（TB-mBJ） exchange potential（plus a local density approximation correlation potential） within the density functional theory to investigate electronic structures and optical properties of rutile and anatase TiO2.Our comparative calculations show that the energy gaps obtained from mBJ method agree better with the experimental results than that obtained from local density approximation（LDA） and generalized gradient approximation（GGA）,in contrast with substantially overestimated values from many-body perturbation（GW） calculations.As for optical dielectric functions（both real and imaginary parts）,refractive index,and extinction coefficients as functions of photon energy,our mBJ calculated results are in excellent agreement with the experimental curves.Our further analysis reveals that these excellent improvements are achieved because mBJ potential describes accurately the energy levels of Ti 3d states.These results should be helpful to understand the high temperature ferromagnetism in doped TiO2.This approach can be used as a standard to understand electronic structures and the related properties of such materials as TiO2.     

AFM and XPS Study of Glass Surface Coated with Titania Nanofilms by Sol-Gel Method

Ce3＋-doped and undoped Ti02 nanofilms are prepared on glass surface using a sol-gel method. Crystal structure, surface morphology, chemical composition and element distribution of both glass substrates and TiO2 films were characterized by x-ray diffractometer （XRD）, atomic force microscopy （AFM） and x-ray photoelectron spectroscopy （XPS）. The XRD results indicate that the Ce3＋-doped TiO2 tilms are solely composed of the anatase phase whereas in the undoped films a small amount of the futile phase of TiO2 is present. AFM observations show that there exist many micro-cracks and micro-boles on glass substrate surface. In contrast, the surface of pure titania films is crack-free and the average crystallite size of the films is less than 50nm. For the films doped with Ce3＋, not only does it appear to be more uniform and compact, but also the corresponding crystal size is decreased. XPS results indicate that element interdiffusion occurs between the titania nanofilm and the glass substrate during the sintering process. The film is firmly adhered onto the glass surface through the chemical combination of Ti-O-Si bonds, and the combination is more enhanced by Ce3＋-doping.     

Preparation and Photocurrent Performance of Highly Ordered Titania Nanotube Implanted with Ag/Cu Metal Ions

Ag/Cu-doped titania nanotubes （Ag/TiNT, Cu/TiNT） are prepared by a metal vapor vacuum arc implanter. A scanning electronic microscope is employed for microstruetural characterization. The photo-current performance of doped titania nanotubes under UV and visible light is tested by an electrochemical workstation CS300UA, the results show that the absorption edge of both Ag/TiNT and Cu/TiNT samples shifts to the visible light region and the band gap becomes narrower. Ag/TiNT possesses better photo-current ability than Cu/TiNT under UV and visible light. Titania doped with Ag and Cu metal ions is also studied based on the linearized augmented planewave method implemented by WIEN2k package, the result becomes better with the experimental performance.     

Three-Dimensional Finite Element Analysis of Phase Change Memory Cell with Thin TiO2 Film

A thin TiO2 layer inserted in a phase change memory （PCM） cell to form a deep sub-micro bottom electrode （DBE） is proposed and its electro-thermal characteristics are investigated with the three-dimensional finite element analysis. Compared with the conventional PCM cell with a SiN stop layer, the reset threshold current of the PCM cell with the TiO2 layer is reduced from 1.8 mA to 1.2 mA and the ratio of the amorphous resistance and crystalline resistive increases from 65 to 100. The optimum thickness of the TiO2 layer and the optimum height of DBE are 10nm and 200nm, respectively. Therefore, the PCM cell with the TiO2 layer can decrease the programming power consumption and increase heating efficiency. The TiO2 film is a better candidate for the SiN film in the PCM cell structure to prepare DBE and to reduce programming power in the reset operation.     

块状TiO2气凝胶的溶胶-凝胶过程及结构

 对块状TiO₂气凝胶的溶胶-凝胶过程及结构进行了实验研究,结果发现：增加催化剂的量,凝胶化时间缩短,湿凝胶的透明度降低,强度提高;增加前驱体的量,凝胶化时间缩短,湿凝胶的透明度变化不大,强度提高;增加水量,凝胶化时间先缩短后增加,湿凝胶透明度先减小后增加,强度先增加后减小。利用扫描电镜对超临界干燥法制备的不同催化剂量和密度的块状TiO₂气凝胶的结构进行了表征,并对结构与溶胶-凝胶过程之间的联系进行了分析。结果表明：增加催化剂量,由于缩聚反应进行的程度提高,气凝胶粒子粒径较小且总的孔径较大。减小前驱体量,气凝胶粒子粒径增大且结构逐渐疏松。