Preparation and Photocatalytic Behaviors of Nanoporous Polyoxotungstate-Anatase TiO_2 Composites

Nanoporous anatase TiO2 crystalline particles coupled with Keggin or Wells-Dawson unit, H3PW12O40/TiO2 or H6P2W18O62/TiO2, were prepared at a low temperature （200℃ ） using sol-gel method combined with hydrothermal treatment at programmed temperature. The as-prepared composites have uniform anatase phase, and they exhibit both micrand mesoporosities with pore sizes of 0.6 and 4.0 nm, respectively, and their average size is lower than 10 nm. Photocatalytic tests show the composites exhibit relatively higher photocatalytic activities to decompose the organocholorine pesticide hexachlorobenzene（HCB） than anatase TiO2, the starting polyoxotungstates, and EuEOa/TiO2 prepared by using sol-gel method, and this was attributed to （ 1 ） the synergistic effect of photoactive anatase TiO2 with the polyoxotungstate, and （2） the fascinating physical and chemical properties of the porous materials.

Low-temperature Preparation of Photocatalytic TiO_2 Thin Films on Polymer Substrates by Direct Deposition from Anatase Sol

Anatase TiO2 sol was synthesized under mild conditions （75℃ and ambient pressure） by hydrolysis of titaniumn-butoxide in abundant acidic aqueous solution and subsequent reflux to enhance crystallization. At room temperature and in ambient atmosphere, crystalline TiO2 thin films were deposited on polymethylmethacrylate （PMMA）, SiO2-coated PMMA and SiO2-coated silicone rubber substrates from the as-prepared TiO2 sol by a dip-coating process. SiO2 layers prior to TiO2 thin films on polymer substrates could not only protect the substrates from the photocatalytic decomposition of the TiO2 thin films but also enhance the adhesion of the TiO2 thin films to the substrates. Field-emission type scanning electron microscope （FE-SEM） investigations revealed that the average particle sizes of the nanoparticles composing the TiO2 thin films were about 35-47 nm. The TiO2 thin films exhibited high photocatalytic activities in the degradation of reactive brilliant red dye X-3B in aqueous solution under aerated conditions. The preparation process of photocatalytic TiO2 thin films on the polymer substrates was quite simple and a low temperature route.

Photocatalytic Degradation of Rhodamine B Dye with High Purity Anatase Nano-TiO_2 Synthesized by a Hydrothermal Method

High purity anatase nano-TiO2 powders with high photocatalytic activity were prepared by a hydrothermal synthesis method. X-ray diffraction （XRD）, field emission transmission electron microscopy （FETEM）, ultraviolet-visible （UV-Vis） light absorption spectrum and photoluminescence （PL） spectrum were adopted to characterize the catalyst. Effects of temperature, time and sol concentration of hydrothermal synthesis on particle size and phases were investigated. Photocatalytic activities in the degradation of Rhodamine B Dye were studied. The experimental results indicated that photocatalytic activity of the nano-TiO2 powers was much higher than that of P25 （Degussa）.

Fe^(3+)-Doped Anatase TiO_2 Study Prepared by New Sol-Gel Precursors

FeTi_1-O_2（= 0.00,0.05,0.10） nanocomposites are synthesized using a sol-gel method involving an ethanol solvent in the presence of ethylene glycol as the stabilizer,and acetic acid as the chemical reagent.Their structural and optical analyses are studied to reveal their physicochemical properties.Using the x-ray diffractometer（XRD）analysis,the size of the nanoparticles（NPs） is found to be 18-32 nm,where the size of the NPs decreases down to 18 nm when Fe impurity of up to 10% is added,whereas their structure remains unchanged.The results also indicate that the structure of the NPs is tetragonal in the anatase phase.The Fourier transform infrared spectroscopy analysis suggests the presence of a vibration bond（Ti-O） in the sample.The photoluminescence analysis indicates that the diffusion of Fe^（3＋） ions into the TiO_2 matrix results in a decreasing electron-hole recombination,and increases the photocatalytic properties,where the best efficiency appears at an impurity of10%.The UV-diffuse reflection spectroscopy analysis indicates that with the elevation of iron impurity,the band gap value decreases from 3.47 eV for the pure sample to 2.95 eV for the 10 mol% Fe-doped TiO_2 NPs.

Adsorption Regularity and Characteristics of sp^3-Hybridized Gas Molecules on Anatase TiO_2(101) Surface

We report the anatase titanium dioxide （101） surface adsorption of sp3-hybridized gas molecules, including NH3, 1-12 0 and CH4, using first-principles plane-wave ultrasoft pseudopotential based on the density functional theory. The results show that it is much easier for a surface with oxygen vacancies to adsorb gas molecules than it is for a surface without oxygen vacancies. The main factor affecting adsorption stability and energy is the polarizability of molecules, and adsorption is induced by surface oxygen vacancies of the negatively charged center. The analyses of state densities and charge population show that charge transfer occurs at the molecule surface upon adsorption and that the number of transferred charge reduces in the order of N, 0 and C. Moreover, the adsorption method is chemical adsorption, and adsorption stability decreases in the order of NH3, tt2 0 and CH4. Analyses of absorption and reflectance spectra reveal that after absorbed CH4 and H2 O, compared with the surface with oxygen vacancy, the optical properties of materials surface, including its absorption coefficients and reflectivity index, have slight changes, however, absorption coefficient and reflectivity would greatly increase after NH3 adsorption. These findings illustrate that anatase titanium dioxide （101） surface is extremely sensitive to NH3.

Synthesis and characterization of anatase TiO_2 nanosheet arrays on FTO substrate

We have exploited a green approach to prepare layered titanate Na2_xHxTi2Os-H20 nanosheet arrays on FFO substrate by hydrothermal hydrolysis of titanium（IV） isopropoxide （TRIP） with aids of Na2EDTA and TEOA as co-coordination agents, which were then treated by HNO3 to replace Na＋ by H＋, followed by a calcination at 450℃ to topotactically transform into anatase TiO2 nanosheet arrays. SEM, TEM, XRD, and Raman spectroscopy have been employed to characterize the nanosheet films. The TiO2 nanosheet arrays were further applied as electron transport materials of CH3NH3PbI3 perovskite solar cells, achieving power conversion efficiency of 6.99%.

The adsorption and activation of formic acid on different anatase TiO2 surfaces

Formic acid photodegradation is one of the most important reactions in organic pollution control, and helps to improve the hydrogen generation efficiency in titanium dioxide catalyzed water photodecomposition. Based on density functional theory and Reax FF molecular dynamics, the adsorption, diffusion and activation of formic acid on the different anatase TiO（101）,（001）,（010） surfaces are investigated.The result shows that the adsorption of COOH on anatase TiOsurface shrinks the energy gap between the dehydrogenation intermediate COOH and HCOO. On the anatase TiO（101） surface, the formic acid breaks the O–H bond at the first step with activation energy 0.24 eV, and the consequent break of α-H become much easier with activation energy 0.77 eV. The dissociation of α-H is the determination step of the HCOOH decomposition.

Ultrasonic Degradation of Methyl Orange in Presence of Y2O3 Doping Anatase TiO2 Catalyst

Various affecting factors and degradation mechanism were studied on ultrasonic degradation of methyl orange adopting Y2O3 doping anatase TiO2 catalyst prepared in laboratory.In the experiment, the UV-VIS spectrophotometer was used to follow and inspect the degradation process of methyl orange.The results indicate that the ultrasonic degradation ratios of methyl orange in the presence of anatase TiO2 catalyst are much better than those without catalyst.Moreover, the catalytic performance of Y2O3 doping anatase TiO2 catalyst is obviously higher than that of anatase TiO2 catalyst without doping.The optimal conditions were adopted in this work and the degradation and COD elimination ratio of methyl orange got to98% and 99.0% in 90 min, respectively.

Dependence of Nonlinear Optical Response of Anatase TiO2 on Shape and Excitation Intensity

Nonlinear optical （NLO） properties of anatase TiO2 with nanostructures of nanopaxticle （NP）, nanowire （NW） and annealed nanowire （NWA） are studied by open-aperture and closed-aperture Z-scan techniques with a fem- tosecond pulsed laser at wavelengths of 532 nm and 780 nm simultaneously. At 532 nm, when increasing excitation intensity, NLO absorption of TiO2 NPs transforms from saturable absorption to reverse-saturable absorption. However, NWs and NWAs exhibit the opposite change. At 780nm, all samples show reverse-saturable absorption, but have different sensitivities to excitation intensity. Due to the larger surface-to-volume ratio of NPs and less defects of NWAs by annealing, nonlinear optical absorption coet^icients follow the order NPs≥ NWs≥ NWAs. The results also show that these shape and annealing effects axe dominant at low excitation intensity, but do not exhibit at the high excitation intensity. The NLO refractive index of NPs shows a positive linear relationship with the excitation intensity, whereas NW and NWAs exhibit a negative linear relationship. The results could provide some foundational guidance to applications of anatase TiO2 in optoelectronic devices or other aspects.

First-principles study on anatase TiO_2 (101) surface adsorption of NO

In this paper, the stable structure and the electronic and optical properties of nitric oxide （NO） adsorption on the anatase TiO2 （101） surface are studied using the plane-wave ultrasoft pseudopotential method, which is based on the density functional theory. NO adsorption on the surface is weak when the outermost layer terminates on twofold coordinated oxygen atoms, but it is remarkably enhanced on the surface containing O vacancy defects. The higher the concentration of oxygen vacancy defects, the stronger the adsorption is. The adsorption energies are 3.4528 eV （N end adsorption）, 2.6770 eV （O end adsorption）, and 4.1437 eV （horizontal adsorption）. The adsorption process is exothermic, resulting in a more stable adsorption structure. Furthermore, O vacancy defects on the TiO2 （101） surface significantly contribute to the absorption of visible light in a relatively low-energy region. A new absorption peak in the low-energy region, corresponding to an energy of 0.9 eV, is observed. However, the TiO2 （101） surface structure exhibits weak absorption in the low-energy region of visible light after NO adsorption.

A Density Functional Study of N-Doped TiO_2 Anatase Cluster

A systematic study on geometry, electronic structure and vibrational properties of N-doped TiO2 anatase cluster, within the framework of the density functional theory, has been performed in this work. The calculations confirmed that the most structures in substitutional model consist of a two-coordinate bridge structure and a three-coordinate hollow structure. The calculated results can well explain the red shift in N-doped TiO2 observed in experiments. The study provides an illustration for the N-doped anatase from the viewpoint of chemical bonding theory.

掺杂过渡金属离子的TiO_2复合纳米粒子光催化剂──罗丹明B的光催化降解

The transition metal ion doped TiO 2 nanoparticles were prepared with hydrothermal method, and the effects of doping different metal ions on the ability of TiO 2 in photocatalyzing degradation of rhodamine B(RB) were studied. The results showed that the doping of Fe 3+ , Co 2+ , Ni 2+ and Cr 3+ in TiO 2 nanoparticles made the photocatalytic efficiency of the TiO 2 particles reduce and the higher the initial content of Fe 3+ , the lower the ability of TiO 2 in photocatalyzing the degradation of RB. But the doping of Zn 2+ and Cd 2+ , especially Zn 2+ , made the photocatalytic efficiency of the TiO 2 particles enhance, showing a great increase of the rate constant( k ) and the initial reaction rate( r ini ).

网状Ti/TiO_2电极光电催化氧化若丹明B

用阳极氧化法制备出一种网状Ti/TiO2 电极 ,扫描电镜和拉曼光谱对电极表面TiO2 膜的形貌和晶体结构的检测结果表明 :膜的结构和性能受阳极氧化过程中氧化速率的影响 ,在控制实验条件下 ,锐钛型TiO2 是其主要结晶形态 .若丹明B的光电催化降解和光催化降解的实验结果表明 :外加偏压可以有效地提高有机物的光催化降解效率 .TOC的测定结果显示 ,在光电催化氧化过程中 ,若丹明B几乎完全矿化 .若丹明B在光电催化降解过程中 。

Fe^(3+)-TiO_2/SiO_2光催化降解罗丹明B的研究

以硅胶为载体 ,采用溶胶 -凝胶法制备了不同掺杂量的 Fe3 +-Ti O2 /Si O2 光催化剂 ,并采用 SEM,Raman和 DRS等手段对其进行了分析和表征 .以氙灯为光源 ,通过对可溶性染料罗丹明 B的降解反应 ,考察了 Fe3 +-Ti O2 /Si O2 催化剂的光催化活性 ,探讨了光催化反应中溶液 p H值和起始浓度对催化反应的影响 .

纳米TiO_2光催化分解罗丹明B的动力学分析

The photocalytic degradation of Rhodamine B by nano TiO 2 was studied under irradiation of 4W UV lamp in Rhodamine B aqueous directly with different initial concentration of Rhodamine B and different amount of catalysis.The results of the experiments indicated that the reaction rate increases with the increase of the initial concentration of Rhodamine B,and the reaction rate increases with the increase of the amount of catalysis.The photocalytic degradation of Rhodamine B is a complex reaction.The total reaction is a first order kinetic model.

TiO_2悬浆体系光催化降解酸性红B动力学分析

采用 Ti O2 悬浆体系 ,以高硼紫外灯为光源 ,考察了酸性红B光催化降解中溶液初始质量浓度、催化剂投加量、无机盐、空气通入量、p H值对光催化降解速率影响。用 Langmuir-hinshelwood方程描述酸性红 B光催化动力学行为。结果表明 :初始质量浓度增加 ,反应由一级向零级过渡 ;催化剂投加量在 0 .5～ 2 .5 g/ L时 ,3 0 mg/ L酸性红 B一级反应速率常数与投加量成线性关系 ;5种溶解性无机盐对光催化降解酸性红 B存在抑制作用 ,阴离子影响大于阳离子 ;通入空气影响动力学行为 ,改变反应级数。本实验在 p H值为 3时光催化降解效果最佳 ,且酸性条件下比碱性下条件效果更好 ;Ti O2 表面吸附能力随 p H值增大而减弱 。

溶胶-凝胶法制备TiO_2/玻璃膜和光催化降解玫瑰红B的研究

以 Ti( OC4H9) 4为原料采用溶胶 -凝胶法制备了纳米 Ti O2 /玻璃薄膜光催化剂 ,用 X射线衍射法对催化剂的物相、粒径进行了表征 .结果表明 ,薄膜中 Ti O2 为锐钛矿晶型 ,粒径 1 5～ 2 5nm.用 X射线光电子能谱法分析膜的化学组成 .摩擦学实验表明 ,Ti O2 /玻璃膜具有良好的减磨和抗磨性能 .水中染料玫瑰红 B的光催化氧化降解实验结果表明 ,Ti O2 膜对玫瑰红 B降解有很高的催化活性 ,其降解反应对时间和浓度均为一级反应 ,反应速率可用 Langmuir-Hinshelwood方程描述 .

B/Fe_2O_3共掺杂纳米TiO_2可见光下的催化性能

采用溶胶凝胶法制备B/Fe2O3共掺杂TiO2复合光催化材料,并用X射线衍射仪(XRD)、扫描电镜(TEM)和紫外可见漫反射光谱(DRS)对粉体进行表征。结果表明:催化剂以锐钛矿存在的纳米颗粒,直观地显示了物质的形貌,掺杂B能极大提高催化剂的可见光响应。以二氯苯酚(DCP)为降解物质,在紫外和可见光下分别研究了复合催化剂的光催化活性。掺杂B能使吸收光谱红移至可见光区,而进一步掺杂Fe2O3大大提高了催化剂的活性。

TiO_2/Ti薄膜电极制备和光电催化降解罗丹明B的研究

以TA1钛合金为原料采用阳极氧化法制备新型薄膜电极 -TiO2 Ti电极 ,运用X射线衍射法、扫描电镜对电极表面膜的粒径、物相进行了表征。结果表明 ,控制反应条件 ,薄膜中二氧化钛晶型以锐钛矿型为主 ,粒径 45～ 5 0nm ,将其应用于光催化氧化水中的罗丹明B ,该电极对其降解有很好的光催化活性 ,同时 。

负载型TiO_2/活性炭的制备及光催化降解罗丹明B研究

通过溶胶凝胶方法以活性炭(AC)为载体,制备负载型TiO2AC,利用SEM、BET、XRD、Ranme、XPS对TiO2AC的组成、结构、尺寸等特征进行分析和表征,并用紫外灯为光源,通过TiO2AC、TiO2粉末和活性炭与TiO2粉末的混合物对可溶性罗丹明B的光催化降解效果的比较,探讨了TiO2AC的光催化性能.结果表明,负载体中的TiO2是由30～60nm的球形颗粒组成,含有Ti,O,C等3种元素,颗粒间不发生团聚,其中一些C元素是由活性炭载体扩散到TiO2颗粒中的.由于活性炭载体与TiO2的协同作用以及高浓度Ti3+的影响,负载型TiO2AC的光催化活性大.当TiO2AC在250℃空气中热处理2h,再在氮气保护下500℃热处理2h,TiO2的质量分数为(18±0.3)%时,负载型TiO2AC对罗丹明B的光催化降解的表观反应常数k最大,为0.0077min-1.