Our density functional theory study of hydroperoxy (OOH) intermediates on various model titanosilicalite (TS-1) Ti centers explores how microstructural aspects of Ti sites effect propylene epoxidation reactivity and shows that Ti sites located adjacent to Si vacancies in the TS-1 lattice are more reactive than fully coordinated Ti sites, which we find do not react at all. We show that propylene...

Abstract Porous silica-based nanospheres bearing titanium centres as single site were successfully synthesized employing a time- and energy-efficient procedure. The influence of the post-synthesis treatment on insertion Ti was investigated via DR UV–Vis XPS spectroscopy content quantified through ICP-OES analysis. textural structural properties different solids evaluated XRD, TEM N2 physisorpti...

Current environmental problems have created the need to search for cleaner fuels. Hydrogen has been proposed as a clean fuel because its combustion by-product is water. Unfortunately, hydrogen is not readily available in pure form. It is obtained from steam reforming (CH4 +2H2O→4H2 +CO2) and dry reforming (CH4 +CO2→2CO+2H2) [1] and has to be separated from methane, carbon dioxide and smaller am...

The catalytic performances over propylene epoxidation with H2 and O2 (HOPO process) are significantly affected by the properties (e.g., surface properties, Ti coordination, morphology) of titanosilicate zeolite. Introducing urea into zeolite synthesis is a simple convenient method to modify these Uncalcined pore-blocked titanium silicalite-1 (TS-1, i.e., TS-1-B) lower dosage possesses more defe...

Layered borosilicate zeolite precursor ERB-1P (Si/B = 11) is delaminated via simultaneous deboronation and SDA removal, to yield material DZ-1 consisting of silanol nests, using a simple aqueous Zn(NO3)2 treatment. Characterization of this synthesis process by PXRD shows loss of long-range order, and transmission electron microscopy (TEM) demonstrates transformation of rectilinear layers in the...