scholarly journals The Vibrational Spectroscopy of the Valence Bonds of Cu-Doped TiO2 Using Electronegativity Principle Quantitative Calculations

2020 ◽  
Vol 2020 ◽  
pp. 1-11
Author(s):  
Ji-Kang Yan ◽  
Jun-Yu Chen ◽  
Guo-You Gan

The purpose of this study is to investigate the influence of Cu on TiO2 phase transformation and regioselectivity. TiO2 samples doped with different amounts of Cu2+ ions were synthesized by the sol-gel method. The phase and vibrational mode were characterized by X-ray diffraction (XRD), Fourier infrared spectroscopy (FTIR), and transmission electron microscope (TEM). The XRD phase analysis shows that the lattice parameters have not changed after Cu incorporation. In addition, the content of rutile increased obviously after Cu doping. This indicated that the addition of Cu obviously promoted the transformation from anatase phase to rutile phase. The vibration frequencies were calculated based on the principle of electronegativity. All types of bonds were qualitatively and quantitatively analyzed. The content of TiA-O, TiR-O, and H-O in the undoped TiO2 samples is 23.87%, 16.30%, and 7.41%, respectively. In the same way, the content of TiA-O, TiR-O, H-O, Cu A i -O, and Cu R i -O in the 2.5 mol%Cu-doped TiO2 samples is 21.23%, 18.56%, 7.34%, and 0.98%, respectively. For the 5 mol%Cu-doped TiO2 samples, the content of TiA-O, TiR-O, H-O, Cu A i -O, Cu R i -O, Cu A s -O, and Cu R s -O is 18.75%, 20.11%, 7.47%, 2.56%, 3.9%, 1.55%, and 2.35%, respectively. Cu was not present at substitutional sites in the 2.5 mol% doped sample, but Cu was present in the 2.5 mol% doped sample. It is indicated that Cu was more likely to exist in the form of interstitial position in the TiO2 lattice, with the number of Cu atoms in the interstitial position reaching saturation, and this forced Cu to replace Ti. The TEM shows that the stripes of different periods and orientations overlapped each other to form the Moiré patterns. In addition, the diffraction patterns of the Moiré image were slightly different from that of the matrix. The Cu replaced Ti position and the Cu atoms mixed into interstitial sites in the TiO2 lattice. The theoretical calculation was consistent with the experimental results.

2010 ◽  
Vol 434-435 ◽  
pp. 565-567
Author(s):  
G.J. Ji ◽  
Zhi Ming Shi ◽  
G. Zhao

The Ce3+-doped and undoped nanocrystalline TiO2 films were prepared on glass substrates surface by sol-gel dip coating technique. The crystal structure and surface morphology of TiO2 films were characterized by means of X-ray diffractometer (XRD), transmission electron microscopy (TEM) and atomic force microscope (AFM). The results indicated that the Ce3+-doped TiO2 films were solely composed of the anatase phase whereas in the undoped films small amount of the rutile phase of TiO2 were present. The average crystallite size of the undoped TiO2 films was about 30nm and was decreased with Ce3+-doping in the TiO2 films. Moreover, the grains distributed more uniform and the surface roughness was smaller in the Ce3+-doped TiO2 films than in the undoped one. The action mechanism of Ce3+-doping inhibits the crystallization of the rutile phase and decreases the anatase granularity of TiO2 films is associated with its physicochemical properties, as well as ionic diffusion and valance change of Ce3+ to Ce4+ in the sintering process.


2019 ◽  
Vol 1 (2) ◽  
pp. 81-88
Author(s):  
Nabilah Rafidiyah

Sulphur-doped TiO2 samples were prepared by sol gel method using thiourea as sulphur source. The amount of thiourea solutions are 0; 0.5; 1.0; 1.5 and 2 ml, respectively. Sulphur-doped TiO2 was calcinated at 450°C. Sulphur-doped TiO2 and pure TiO2 were characterized by X-Ray Diffraction (XRD), Transmission Electron Microscopy (TEM). Photo catalyst tests were carried out under sunlight and UV lamp. Based on XRD characterization, the samples are anatase phase. Furthermore, particle size was calculated using Scherrer equation and results of 8.94 and 12.98 nm, respectively for TBT-1.5 and TBT-0.5. TEM characterization showed that particle size of sulphur-doped TiO2 and pure TiO2 are 8.6 and 12.5 nm. Compared to TiO2 without doping, sulphur-doped TiO2 has a better photo catalyst activity for degradation of remazol golden yellow under visible light.


Materials ◽  
2021 ◽  
Vol 14 (4) ◽  
pp. 937
Author(s):  
Katarzyna Halubek-Gluchowska ◽  
Damian Szymański ◽  
Thi Ngoc Lam Tran ◽  
Maurizio Ferrari ◽  
Anna Lukowiak

Looking for upconverting biocompatible nanoparticles, we have prepared by the sol–gel method, silica–calcia glass nanopowders doped with different concentration of Tm3+ and Yb3+ ions (Tm3+ from 0.15 mol% up to 0.5 mol% and Yb3+ from 1 mol% up to 4 mol%) and characterized their structure, morphology, and optical properties. X-ray diffraction patterns indicated an amorphous phase of the silica-based glass with partial crystallization of samples with a higher content of lanthanides ions. Transmission electron microscopy images showed that the average size of particles decreased with increasing lanthanides content. The upconversion (UC) emission spectra and fluorescence lifetimes were registered under near infrared excitation (980 nm) at room temperature to study the energy transfer between Yb3+ and Tm3+ at various active ions concentrations. Characteristic emission bands of Tm3+ ions in the range of 350 nm to 850 nm were observed. To understand the mechanism of Yb3+–Tm3+ UC energy transfer in the SiO2–CaO powders, the kinetics of luminescence decays were studied.


1998 ◽  
Vol 4 (3) ◽  
pp. 269-277 ◽  
Author(s):  
A. Agrawal ◽  
J. Cizeron ◽  
V.L. Colvin

In this work, the high-temperature behavior of nanocrystalline TiO2 is studied using in situ transmission electron microscopy (TEM). These nanoparticles are made using wet chemical techniques that generate the anatase phase of TiO2 with average grain sizes of 6 nm. X-ray diffraction studies of nanophase TiO2 indicate the material undergoes a solid-solid phase transformation to the stable rutile phase between 600° and 900°C. This phase transition is not observed in the TEM samples, which remain anatase up to temperatures as high as 1000°C. Above 1000°C, nanoparticles become mobile on the amorphous carbon grid and by 1300°C, all anatase diffraction is lost and larger (50 nm) single crystals of a new phase are present. This new phase is identified as TiC both from high-resolution electron microscopy after heat treatment and electron diffraction collected during in situ heating experiments. Video images of the particle motion in situ show the nanoparticles diffusing and interacting with the underlying grid material as the reaction from TiO2 to TiC proceeds.


2002 ◽  
Vol 740 ◽  
Author(s):  
A.D. Schmidt ◽  
S.B. Majumder ◽  
P.S. Dobal ◽  
R.S. Katiyar ◽  
D.C. Agrawal

ABSTRACTModifying their surface with a coating of another ceramic material can dramatically alter the properties of ceramic particles. In the present work we have demonstrated that the Al2O3 particles can be successfully coated by TiO2 using a novel sol-gel technique. The nature of these coatings was predicted on the basis of scanning electron microscopy imaging in conjunction with the micro-Raman scattering measurements. The surface morphology of these particles shows that either individual or group of sub-micron alumina particles are coated with the nano-crystalline titania particles. The thickness of the titania coating could be varied by changing the precursor sol concentration. Amorphous titania was converted to anatase phase at 400°C and upon further heating it started transforming to rutile phase, and both these phases coexisted in the coated particles that were heat treated up to 800°C. The mechanical strength of the titania coating was measured qualitatively by ultrasonicating the coated powders for longer duration to observe that titania coatings are strongly adhered with the alumina particles.


2012 ◽  
Vol 2012 ◽  
pp. 1-8 ◽  
Author(s):  
Aidong Tang ◽  
Yuehua Deng ◽  
Jiao Jin ◽  
Huaming Yang

A novel nanocomposite ZnFe2O4-TiO2/MCM-41 (ZTM) was synthesized by a sol-gel method and characterized through X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), N2adsorption-desorption, Raman spectroscopy, and ultraviolet visible (UV-vis) spectrophotometry. The results confirmed the incorporation of ZnFe2O4-TiO2nanoparticles inside the pores of the mesoporous MCM-41 host without destroying its integrity. ZnFe2O4nanoparticles can inhibit the transformation of anatase into rutile phase of TiO2. Incorporation of ZnFe2O4-TiO2within MCM-41 avoided the agglomeration of nanoparticles and reduced the band gap energy of TiO2to enhance its visible light photocatalytic activity. UV-vis absorption edges of ZTM nanocomposites redshifted with the increase of Zn/Ti molar ratio. The nanocomposite approach could be a potential choice for enhancing the photoactivity of TiO2, indicating an interesting application in the photodegradation and photoelectric fields.


2013 ◽  
Vol 1601 ◽  
Author(s):  
A. Shoja ◽  
A. Nourmohammadi ◽  
M. H. Feiz

ABSTRACTThe aim of this research study is to produce high quality TiO2 nanotube arrays. It is shown that sol-gel electrophoresis is a suitable one to obtain vast-area TiO2 nanotube arrays when nanoporous alumina templates are used. To fabricate TiO2 nanotube arrays, alumina templates were produced via a two-step anodizing by a homemade anodizing cell using high purity phosphoric acid as the electrolyte with aluminum and platinum as electrodes. The semiconductor behavior of these templates can also be employed when producing conducting substrates for the grown TiO2 nanotubes. Stabilized titanium sol was prepared by modified hydrolysis of the titanium precursor using acetic acid. In order to produce TiO2 nanotube arrays, the template pores were filled with the precursor sol by applying a DC electric field. Then, the filled template was heat treated to crystallize the desired TiO2 phase. Scanning electron microscopy of TiO2 nanotube arrays showed that the nanotubes have been deposited in the channels of the nanoporous alumina template. X-ray diffraction data confirmed phase structure and composition of TiO2 nanotube arrays after heat treatment. To reach pure anatase phase, the samples were heated at 320°C and 400°C for two hours. To obtain pure rutile phase, the samples were heated at 320°C and 750°C for two hours.


2014 ◽  
Vol 69 (5) ◽  
Author(s):  
P. W. Koh ◽  
L. Yuliati ◽  
S. L. Lee

Comparative study of Cr, Co or V-doped TiO2 was carried out. The photocatalysts were synthesized via sol-gel method. The results indicated that the dopants of Cr, Co, and V induced anatase to rutile phase transition of TiO2 at different dopant amounts of 1, 4, 2 mol%, respectively. Besides that, the existence of dopant extended the absorption wavelength of TiO2 to visible light region, thus making it a visible-driven photocatalyst. The doped transition metal exhibited different oxidation states on the TiO2 surface. The prepared photocatalysts were tested over photodegradation of Congo Red. Amongst all, Cr-doped TiO2 (3 mol%) was the best photocatalyst attributed to the presence of 45% rutile phase, reduced band gap energy of 2.30 eV and formation of Cr6+, which acted as an electron scavenger to delay the hole-electron recombination. 


2012 ◽  
Vol 535-537 ◽  
pp. 2240-2244
Author(s):  
Wei Wei ◽  
Chang Shun Yu ◽  
Shao Jun Wang ◽  
Qing Da An

Nanosized TiO2 particles were synthesized by sol-gel method using ionic liquid as assistant. The samples were characterized by UV-vis diffuse reflectance spectra, X-ray diffraction (XRD), transmission electron microscopy (TEM). It was shown that the phase detectable was mainly rutile phase with uniform sphericity and the average size was 10nm. Along with the rise of sintering temperature, grain diameter became bigger. The photocatalytic activities of nanosized TiO2 were evaluated by the reduction yield in the presence of CO2 and water. The result showed that TiO2 catalysts has efficient photocatalytic activities, of which made with [OMIM]BF4 displayed the highest photocatalytic active in the experiment.


1994 ◽  
Vol 346 ◽  
Author(s):  
Carol S. Houk ◽  
Gary A. Burgoine ◽  
Catherine J. Page

ABSTRACTWe have investigated the homogeneity of sol‐gel derived YBa2Cu307‐s from the solution phase to the final product using transmission electron microscopy (TEM), x‐ray diffraction (XRD), and Energy Dispersive X‐ray (EDX) lateral mapping techniques. The starting solutions contain stoichiometric amounts of the metal 2‐(2‐methoxyethoxy)ethoxide components in 2‐(2‐methoxyethoxy)ethanol and appear to be homogeneous by TEM with a uniform distribution of particles having an average size of less than 40 â. Through elemental mapping we see elemental segregation in the high temperature (950 °C) products, which are orthorhombic by XRD. In elemental maps of gel samples fired to 700 °C, which are tetragonal by XRD, we also see elemental inhomogeneity within particles and phase zoning in maps of products from finely ground gels. A comparison of elemental maps and x‐ray diffraction patterns of the products from gel processing and conventional solid state processing is made.


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