Electrical properties and defect chemistry of anatase (TiO2)

The electrical properties of pure Anatase are investigated by impedance spectroscopy as function of temperature and oxygen partial pressure. The experimental results are fully interpreted by point defect chemistry. A transition from predominant Schottky to Frenkel cation disorder is observed when the temperature increases and/or the oxygen partial pressure decreases. The reduction enthalpies are near those obtained for Rutile in previous studies.     

Electrical and structural modifications of TZP

The stability range of the metastable tetragonal phase in the ZrO₂-Y₂O₃-TiO₂ and ZrO₂-Y₂O₃-Fe₂O₃ systems was investigated by XRD at room temperature. The solid solubility limit of TiO₂ was found to be as high as 20 mol%, while that of Fe₂O₃ does not exceed 0.8 mol%. Impedance measurements show a decrease of the total conductivity, bulk conductivity and grain boundary conductivity as a result of the TiO₂ and Fe₂O₃ addition. Dc-polarization measurements using the Hebb-Wagner technique were applied to determine the partial hole and electron conductivities of TiO₂ and Fe₂O₃ co-doped samples. These show a slightly higher hole conductivity as compared to pure TZP and a remarkably higher electron conductivity as compared to TiO₂ or Fe₂O₃ doped samples. The Hebb-Wagner curves are interpreted according to a model which considers the addition of mixed valence ions. The influence of the minority charge carriers on the charge-transfer resistance is investigated. Paper presented at the 4th Euroconference on Solid State Ionics, Renvyle, Galway, Ireland, Sept. 23–19, 1997.     

Investigation on surface properties of TiO2 films modified by DC glow discharge plasma

In the present work, TiO₂ films deposited on polyethylene terephthalate substrates by dip coating technique were subsequently treated by DC glow discharge plasma as a function of discharge potential. Hydrophilicity of these TiO₂ film surfaces was analyzed by contact angle measurements. Atomic force microscopy (AFM) revealed changes in surface morphology of the plasma treated TiO₂ films. Modifications in structural and chemical composition of the TiO₂ films were detected by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The blood compatibility of TiO₂ films was studied by in vitro investigation which includes thrombus formation and whole blood clotting time analysis (WBCT). It was found that the plasma treatment results in blood compatibility enhancement attributed to the structural, chemical and morphological properties of the modified film surfaces.     

Electrical properties of poly(2-vinylpyridine)-iodine films

The d.c. electrical conductivity of thick films of poly(2-vinylpyridine)-iodine is measured as a function of iodine concentration and temperature. The results are interpreted in terms of electronic hopping between ionic centers dispersed at random in the polymer.     

Photocatalytic properties of Ta-doped TiO2

Ionics - This work reports the effect of tantalum (0.1–1 at.% Ta) on the photocatalytic performance of TiO2 annealed at 1373 and 1673 K in air. It was shown that addition of...     

溶胶-凝胶法制备Bi0.5Na0.5TiO3陶瓷及其电学特性

用溶胶-凝胶工艺成功制备出Bi05Na05TiO3纳米微粉，并利用此微粉烧结出高致密度的Bi05Na05TiO3陶瓷.这种新工艺制备的Bi05Na05TiO3陶瓷，其压电性能远远高于普通方法制备的陶瓷，其中压电常数d33和机电耦合系数kt分别高达102×10-12C/N和58%.同时发现，对于这种Bi05Na05TiO3陶瓷，室温时只需施加100kV/cm左右的交变电场，就可得到矩形度极好的饱和回线，得到的剩余极化Pr和矫顽场Ec分别为32μC/cm2和61kV/cm.而在100℃以上只需施加35kV/cm的极化电场就可使样品充分极化.     

Electrical properties of Cu2S

The electrical properties of polycrystalline thick layers and the corresponding thin films of the new semiconducting material Cu₂S are investigated. It is established that this compound is a semiconductor with p-type conductivity and a wide forbidden band (1.8 ± 0.1 eV), that it does not break down under thermal sublimation, and that the properties of thick layers are largely retained in thin films, if the thickness of the latter is greater than 0.7 .     

Photocatalytic properties of TiO2 and TiO2/Pt: A sol-precipitation,sonochemical and hydrothermal approach

In this work we prepared TiO₂ nano-powders and TiO₂/Pt nano-composites via three synthesis methods (sol-precipitation, sonochemical method, hydrothermal method) starting with the same precursors and media. To evaluate and compare the physical properties of the prepared materials, X-ray diffraction analysis, BET measurements, FTIR spectroscopy, X-ray photoelectron spectroscopy (XPS) and electron microscopy (TEM, HRTEM, SAED) were applied. The results showed changes to the TiO₂ phase composition and crystallinity, the specific surface area as well as the platinum’s particle shape and size, depending on the method of synthesis. To determine the photocatalytic efficiency of the prepared materials, the photocatalytic discoloration of the methylene blue solution was evaluated using UV–Vis spectroscopy. The important properties required for a high photocatalytic activity, related to the surface characteristics and the phase composition, were determined in terms of the synthesis method. It was concluded that the optimum characteristics were obtained when using the hydrothermal approach, where the TiO₂ had two phases, i.e., – anatase and rutile, a Pt-phase in the form of nanoparticles and adsorbed Pt-molecular species, as well as the presence of available free surface hydroxyl groups. Such characteristics had a critical influence on the photocatalytic activity of the final material.     

Titanium atoms dimerization phenomenon and magnetic properties of titanium-antisite (TiO) and chromium doped rutile TiO2, ab-initio calculation

The ab-initio calculations based on the Korringa Kohn Rostoker approximation approach combined with coherent potential approximation (KKR-CPA), were used to study the magnetic properties of the titanium anti-site (Ti_O) and chromium (Cr) doped TiO₂. In the considered systems, we used different concentrations for Ti_O defect and Cr doping. In TiO_2(0.98)(Ti_O)_0.02, the obtained results indicate that Ti_O is a donor having half-metal behavior. Ti_O[3d] band is located at the Fermi level, although isn’t 100% polarized, the ferromagnetic (FM) state is verified as being more stable than disordered local moment (DLM) state. For Ti_0.98Cr_0.02O₂ the Cr doping introduced new states which give the material half-metallic feature. The majority spin of Cr impurities are located at the Fermi level and the conduction electrons around the Fermi level are 100% spin polarized. This indicates the stability of (FM) state. Moreover, in Ti_0.98Cr_0.02O_2(0.98)(Ti_O)_0.02, the top of the valence band is shifted to lower energy compared to pure TiO₂, and the n-type of TiO₂ is verified. The majority spin of Cr[3d] are located at 0.025 Ry close to the Fermi level. The predicted Curie temperatures (Tc) were calculated using the mean field approximation (MFA) and we predicted that Ti_O defect in Cr doped TiO₂ makes Tc higher. This kind of defect makes the material useful for spinotronics's applications and devices.     

硼(氮、氟)掺杂对TiO2纳米颗粒光学性能的影响

利用X射线衍射谱、拉曼光谱和紫外-可见光吸收光谱研究了硼(氮、氟)掺杂对TiO₂纳米颗粒光学性能的影响.X射线衍射谱和拉曼光谱结果表明,掺硼(氮、氟)对TiO₂纳米颗粒的锐钛矿相晶体结构无明显影响,而其锐钛矿晶格出现畸变(c/a值增大),这被归因于掺杂原子对TiO₂纳米颗粒表面氧原子缺位沿晶格c轴方向的占据.另外,掺硼(氮、氟)TiO₂纳米颗粒吸收带红移与TiO相似文献   

Electrical characteristics of p-Si/TiO2/Al and p-Si/TiO2-Zr/Al Schottky devices

Electrical devices involve different types of diode in prospective electronics is of great importance. In this study, p-type Si surface was covered with thin film of TiO₂ dispersion in H₂O to construct p-Si/TiO₂/Al Schottky barrier diode (D1) and the other one with TiO₂ dispersion doped with zirconium to construct p-Si/TiO₂-Zr/Al diode (D2) by drop-casting method in the same conditions. Electrical properties of as-prepared diodes and effect of zirconium as a dopant were investigated. Current–voltage (I–V) characteristics of these devices were measured at ambient conditions. Some parameters including ideality factor (n), barrier height (Φ_B0), series resistance (Rs) and interface state density (Nss) were calculated from I–V behaviours of diodes. Structural comparisons were based on SEM and EDX measurements. Experimental results indicated that electrical parameters of p-Si/TiO₂/Al Schottky device were influenced by the zirconium dopant in TiO₂.     

TiO2薄膜光学性质的研究

以磁控溅射制备的TiO2薄膜为样品,通过对薄膜折射率、吸收系数、膜厚度与入射光波长相互关系的分析。获得了TiO2薄膜的折射率、吸收系数与入射光波长的关系式。以及TiO2薄膜厚度的计算公式．     

Electrochemical sensing of H2O2 using cobalt oxide modified TiO2 nanotubes

Cobalt oxide (Co₃O₄) modified anatase titanium dioxide nanotubes (ATNTs) have been investigated for the electrochemical sensing of hydrogen peroxide (H₂O₂). ATNTs have been synthesized by a two-step anodization process. ATNTs were then modified with Co₃O₄ employing chemical bath deposition method. The structure and morphology of ATNTs and their modification with Co₃O₄ has been confirmed by X-ray diffraction by scanning electron microscopy. H₂O₂ sensing has been studied in 0.1 M PBS solution, by cyclic voltammetry and amperometry. Variation in the peak positions and current densities was observed with addition of H₂O₂ for Co₃O₄ modified ATNTs. Sensitivity and limit of detection improved with modification of ATNTs with Co₃O₄ with precursor concentration up to 0.8 M. However, at higher precursor concentrations sensitivity and limit of detection toward H₂O₂ deteriorated. Co₃O₄ Modified ATNTS using 0.8 M precursor concentration are comparatively more suitable for H₂O₂ sensing applications due to the optimum formation of Co₃O₄/ATNTs heterojunctions.     

Effect of TiO2 crystalline composition on the dielectric properties of TiO2/P(VDF‐TrFE) composites

In order to study the effect of the TiO₂ particle crystalline composition (with different proportions of rutile and anatase crystals) on the dielectric properties of the composite, titanium dioxide (TiO₂) particles and TiO₂/poly(vinylidene fluoride‐co‐trifluoroethylene) [P(VDF‐TrFE)] composites were synthesized by a reflux method and the solution route, respectively. The results indicated that the optimum TiO₂ particle crystalline composition is anatase content of 37% and rutile content of 63% for dielectric‐constant modifier applications. Furthermore, a dielectric constant of 25.7 with dielectric loss of 0.17 at 100 Hz at room temperature were obtained in the composite with 40 wt% TiO₂ particles. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

锐钛矿相和金红石相Nb:TiO_2电学性质的GGA(+U)法研究

采用基于密度泛函理论第一性原理GGA和GGA+U相结合的方法研究了不同掺杂浓度下锐钛矿相和金红石相Nb:TiO2的晶体结构、电子结构以及稳定性.结果表明:锐钛矿相Nb:TiO2能带结构与简并半导体类似,呈类金属导电机理.金红石相Nb:TiO2呈半导体导电机理.Nb原子比Ti原子电离产生出更多的电子.锐钛矿相Nb:TiO2中Nb原子的电离率比金红石相Nb:TiO2的大.以上结果说明锐钛矿相Nb:TiO2比金红石相Nb:TiO2更适宜用作TCO材料;掺杂浓度对其杂质能级,费米能级和有效质量都有影响.Nb原子掺杂浓度越高,材料电离率呈降低趋势;形成能计算结果显示:在富钛条件下不利于Nb原子的掺杂,而在富氧条件下有利于Nb原子的掺杂.对于金红石相和锐钛矿相Nb:TiO2,不论是在贫氧或富氧条件下,随着Nb原子掺杂浓度的提高,形成能均增大.