نتایج جستجو برای: rutile structure

تعداد نتایج: 1569796  

Journal: :Journal of nanoscience and nanotechnology 2005
M A Barakat G Hayes S Ismat Shah

Co-doped TiO2 nanoparticles containing 0.0085, 0.017, 0.0255, 0.034, and 0.085 mol % Co(III) ion dopant were synthesized via sol-gel and dip-coating techniques. The effects of metal ion doping on the transformation of anatase to the rutile phase have been investigated. Several analytical tools, such as X-ray diffraction (XRD), transmission electron microscope (TEM), X-ray photoelectron spectros...

Journal: :Faraday discussions 2011
Andrey Lyalin Tetsuya Taketsugu

The specific role played by small gold nanoparticles supported on the rutile TiO2( 110) surface in the processes of adsorption and dissociation of H2 is discussed. It is demonstrated that the molecular and dissociative adsorption of H2 on Au(n) clusters containing n = 1, 2, 8 and 20 atoms depends on cluster size, geometry structure, cluster flexibility and the interaction with the support mater...

Journal: :international journal of bio-inorganic hybrid nanomaterials 2015
m. farahmandjou m. ramazani

nano-sized titanium dioxide tio2 powder was successfully prepared from its precursor titanium (iv) chloride by a simple and new wet chemical method. ticl4 were used as precursor in hydrogen peroxide, h2o2 and ethanol. this solution was then peptized using nitric acid and heated under reflux at 80°c. their physico-chemical properties were then characterized by transmission electron microscopy (t...

2012
Horng-Huey Ko Hui-Ting Chen Feng-Ling Yen Wan-Chen Lu Chih-Wei Kuo Moo-Chin Wang

The preparation of TiO(2) nanocrystallite powders coated with and without 9 mol% ZnO has been studied for cosmetic applications in sunscreens by a co-precipitation process using TiCl(4) and Zn(NO(3))(2)·6H(2)O as starting materials. XRD results show that the phases of anatase TiO(2) and rutile TiO(2) coexist for precursor powders without added ZnO (T-0Z) and calcined at 523 to 973 K for 2 h. Wh...

In this work, the formation of oxygen-vacancy defect in 3d metals-doped TiO2 anatase and rutile structures is first investigated. The systematic calculations of formation energy, crystalline stability, band structure and density of state (DOS) of TiO2 samples of anatase and rutile doped with 3d transition metals with and without oxygen defect is done using FHI-aims as a software package based o...

2009
P. KAPP P. TROPPER

Activities of titanite (Ttn, CaTiSiO5) and ⁄or rutile (Rt, TiO2) phase components were calculated for 45 well-characterized natural titaniteor rutile-undersaturated epidote–amphibolites by using the equilibria: (i) 3 anorthite + 2 zoisite ⁄ clinozoisite + rutile + quartz = 3 anorthite + titanite + water (referred to as TZARS) and (ii) anorthite + 2 titanite = grossular + 2 rutile + quartz (refe...

2013
G. Vlaic S. Mobilio G. Navarra

T w o crystallographic forms of TiC>2 (rutile and anatase) were subject to a n extended x r a y absorption fine structure study a t the K threshold of t i tanium. D a t a analysis was carried out b y Fourier methods and curve fitting techniques. Using the theoretical phases, T i 0 bond distances of 1.93(1) A were derived both for ruti le and anatase, as compared to the crystallographic values o...

Journal: :Nano Letters 2021

The formation of nanoscale phases at grain boundaries in polycrystalline materials has attracted much attention, since it offers a route toward targeted and controlled design interface properties. However, understanding structure–property relationships these complex interfacial defects is hampered by the great challenge accurately determining their atomic structure. Here, we combine advanced el...

Journal: :Physical review letters 2006
Matthias Batzill Erie H Morales Ulrike Diebold

Nitrogen doping-induced changes in the electronic properties, defect formation, and surface structure of TiO2 rutile(110) and anatase(101) single crystals were investigated. No band gap narrowing is observed, but N doping induces localized N 2p states within the band gap just above the valence band. N is present in a N(III) valence state, which facilitates the formation of oxygen vacancies and ...

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