Nature of Active Sites in Sol–Gel TiO2–SiO2 Epoxidation Catalysts

Beck, Carsten; Mallát, Tamás; Bürgi, Thomas; Baiker, Alfons

doi:10.1006/jcat.2001.3407

Cited by 114 publications

(102 citation statements)

References 68 publications

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“…Phosphate-based glasses have a variety of composition-dependent properties, which have led to their development for a range of speciality applications including nuclear waste containment (Day et al, 1998), fast ion conductors in solid state electrolytes (Bates et al, 1992), hermetic seals (Brow et al, 1995) and high-power lasers (Weber, 1990). Understanding the structure of such materials is therefore very important in optimizing their atomic properties.…”

Section: Application To Diffraction Data From a Sodium Metaphosphate mentioning

confidence: 99%

“…Application to diffraction data from a sol-gel-derived TiO 2 -SiO 2 glass Titania-silica mixed oxide glasses have properties that are useful for a number of applications. Such examples are as ultra-low thermal expansion glasses (Scherer & Brinker, 1990), thin films with tailored refractive indices (Schultz & Smyth, 1972) and catalysts (Davis & Liu, 1997;Imamura et al, 1995;Holland et al, 2000;Beck et al, 2001).…”

Section: Application To Diffraction Data From a Sodium Metaphosphate mentioning

confidence: 99%

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NXFit: a program for simultaneously fitting X-ray and neutron diffraction pair-distribution functions to provide optimized structural parameters

2014

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Author(s) of this paper may load this reprint on their own web site or institutional repository provided that this cover page is retained. Republication of this article or its storage in electronic databases other than as specified above is not permitted without prior permission in writing from the IUCr.For further information see http://journals.iucr.org/services/authorrights.html Many research topics in condensed matter research, materials science and the life sciences make use of crystallographic methods to study crystalline and non-crystalline matter with neutrons, X-rays and electrons. Articles published in the Journal of Applied Crystallography focus on these methods and their use in identifying structural and diffusioncontrolled phase transformations, structure-property relationships, structural changes of defects, interfaces and surfaces, etc. Developments of instrumentation and crystallographic apparatus, theory and interpretation, numerical analysis and other related subjects are also covered. The journal is the primary place where crystallographic computer program information is published.Crystallography Journals Online is available from journals.iucr.org J. Appl. Cryst. (2014 NXFit is a program for obtaining optimized structural parameters from amorphous materials by simultaneously fitting X-ray and neutron pairdistribution functions. Partial correlation functions are generated in Q space, summed and Fourier transformed for comparison with the experimental data in r space. NXFit uses the Nelder-Mead method to vary a set of 'best guess' parameters to achieve a fit to experimentally derived data. The output parameters from NXFit are coordination number, atomic separation and disorder parameter for each atomic correlation used in the fitting process. The use of NXFit has been demonstrated by fitting both X-ray and neutron diffraction data from two quite different amorphous materials: a melt-quenched (Na 2 O) 0.5 (P 2 O 5 ) 0.5 glass and a (TiO 2 ) 0.18 (SiO 2 ) 0.82 sol-gel.

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Section: Application To Diffraction Data From a Sodium Metaphosphate mentioning

confidence: 99%

Section: Application To Diffraction Data From a Sodium Metaphosphate mentioning

confidence: 99%

NXFit: a program for simultaneously fitting X-ray and neutron diffraction pair-distribution functions to provide optimized structural parameters

2014

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“…There is a distinct band centred primarily at 958 cm −1 . Beck et al [33] proposed that this band is due to the overlapping of two peaks (Ti O Si stretching at 935 cm −1 and Si OH stretching at 980 cm −1 ). Such adsorption is commonly accepted as the characteristic vibration of Ti O Si bands in titaniumcontaining silicate materials.…”

Section: Preparation and Characterisation Of Silica-titania Mesoporoumentioning

confidence: 99%

Hydrophilic modification of silica–titania mesoporous materials as restricted-access matrix adsorbents for enrichment of phosphopeptides

Wang¹,

Guan²,

Zhang³

et al. 2012

Journal of Chromatography A

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“…by Xia et al 27 The surface chemistry of Cu(I)/TiO 2 in the photocatalytic CO 2 reduction is discussed in more detail in the following. .…”

Section: Discussionmentioning

confidence: 99%

“…This is particularly true if alkoxides (propoxide, butoxide) were used as the precursor 33 , or if carbon supported TiO 2 was used. 27 Also in the synthesis procedure of N-doped TiO 2 , organic solvents were used, the residue of which might have contributed to the observed activity.…”

Section: -32mentioning

confidence: 99%

Photocatalytic CO2 activation by water : catalyst screening and mechanistic evaluation

Yang¹

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Nature of Active Sites in Sol–Gel TiO2–SiO2 Epoxidation Catalysts

Cited by 114 publications

References 68 publications

NXFit: a program for simultaneously fitting X-ray and neutron diffraction pair-distribution functions to provide optimized structural parameters

NXFit: a program for simultaneously fitting X-ray and neutron diffraction pair-distribution functions to provide optimized structural parameters

Hydrophilic modification of silica–titania mesoporous materials as restricted-access matrix adsorbents for enrichment of phosphopeptides

Photocatalytic CO2 activation by water : catalyst screening and mechanistic evaluation

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