Search results for " Materials Science"
showing 10 items of 7414 documents
Combined NC-AFM and DFT study of the adsorption geometry of trimesic acid on rutile TiO2(110)
2010
The adsorption behavior of trimesic acid (TMA) on rutile TiO(2)(110) is studied by means of non-contact atomic force microscopy (NC-AFM) and density-functional theory (DFT). Upon low-coverage adsorption at room temperature, NC-AFM imaging reveals individual molecules, centered above the surface titanium rows. Based on the NC-AFM results alone it is difficult to deduce whether the molecules are lying flat or standing upright on the surface. To elucidate the detailed adsorption geometry, we perform DFT calculations, considering a large number of different adsorption positions. Our DFT calculations suggest that single TMA molecules adsorb with the benzene ring parallel to the surface plane. In…
The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis
2014
An enrichment ratio is derived from the decomposition of the crystal contact surface between pairs of interacting chemical species. The propensity of different contact types to form is investigated.
Improvement of catalytic activity over Cu--Fe modified Al-rich Beta catalyst for the selective catalytic reduction of NOx with NH3
2016
Copper and iron bimetal modified Al-rich Beta zeolites from template-free synthesis were prepared for selective catalytic reduction (SCR) of NOx with NH3 in exhaust gas streams. Comparing to the Cu-based and Fe-based mono-component Beta catalysts, Cu(3.0)-Fe(1.3)-Beta bi-component catalyst shows better low-temperature activity and wider reaction-temperature window. Over 80% of NO conversion can be achieved at the temperature region of 125–500 °C. Due to the synergistic effect of copper and iron evidenced by XRD, UV–Vis–NIR, EPR and XPS measurements, the dispersion state of active components as well as the ratio of Cu2+/Cu+ and Fe3+/Fe2+ were improved over Cu(3.0)-Fe(1.3)-Beta. Isolated Cu2+…
Trivalent cation substitution of pulverulent cobalt—iron molybdates Co1 − xFexMoO4
1998
Abstract Different mixed cobalt—iron molybdates Co1 − xFexMoO4 (0 ≤ x ≤ 1) have been prepared by means of a ceramic process. The oxidation of pulverulent samples leads to ferric molybdate Fe2(MoO4)3, spinelle Co3O4 and cobalt molybdate CoMoO4. After a strong grinding which reduces the grain size (about 0.1 μm) and induces crystallographic defects in the grains, the cobalt—iron molybdates can be partially oxidized into cation-deficient phases. This oxidation corresponds to an isostructural substitution of part of the Fe2+ and Co2+ ions by Fe3+ and Co3+ ions and the creation of cation vacancies. The concomitant presence of trivalent cations and associated cation vacancies in the lattice stabi…
Synthesis and preliminary in vivo evaluation of well-dispersed biomimetic nanocrystalline apatites labeled with positron emission tomographic imaging…
2015
In recent years, biomimetic synthetic apatite nanoparticles (AP-NPs), having chemical similarity with the mineral phase of bone, have attracted a great interest in nanomedicine as potential drug carriers. To evaluate the therapeutic perspectives of AP-NPs through the mechanisms of action and organs they interact with, the noninvasive monitoring of their in vivo behavior is of paramount importance. To this aim, here the feasibility to radiolabel AP-NPs ("naked" and surface-modified with citrate to reduce their aggregation) with two positron emission tomographic (PET) imaging agents ([F-18]NaF and Ga-68-NO(2)AP(BP)) was investigated. [F-18]NaF was used for the direct incorporation of the radi…
Catalytic Activity of Char Obtained from Fast Pyrolysis in Esterification Reactions
2021
In this study different pathways for obtaining activated carbon with catalytical activity were analysed. Industrially fast pyrolysis is an efficient way of lignocellulosic biomass processing, since in this process various important high value chemicals are obtained. Biochar is obtained as the by-product in fast pyrolysis process from which activated carbon can be acquired with further chemical activation. Different methods for chemical activation of biochar were tested with the obtained activated charcoals being used as a catalyst in esterification reactions to evaluate their potential use as a heterogenic catalyst. Highest catalytical activity was observed when biochar was pre-treated with…
Surface enhanced Raman scattering of silver sensitized cobalt nanoparticles in metal–dielectric nanocomposites
2008
We report the preparation of a new type of nanocomposite containing cobalt and silver nanoparticles organized in parallel layers with a well controlled separation. This arrangement allows the observation of an enhanced low-frequency Raman signal at the vibration frequency of cobalt nanoparticles excited through the surface plasmons of silver nanoparticles. Numerical simulations of the electric field confirm the emergence of hot spots when the separation between silver and cobalt nanoparticles is small enough. © IOP Publishing Ltd.
Influence of oxide substrates on monolayer graphene doping process by thermal treatments in oxygen
2019
Abstract The structural and the electronic properties of monolayer graphene made by chemical vapor deposition and transferred on various oxide substrates ( SiO 2 , Al 2 O 3 , and HfO 2 ) are investigated by Raman Spectroscopy and Atomic Force Microscopy in order to highlight the influence of the substrate on the features of p-doping obtained by O 2 thermal treatments. By varing the treatment temperature up to 400 °C, the distribution of the reaction sites of the substrates is evaluated. Their total concentration and the consequent highest doping available is determined and it is shown that this latter is linked to the water affinity of the substrate. Finally, by varing the exposure time to …
Easy Method for the Transformation of Levulinic Acid into Gamma-Valerolactone Using a Nickel Catalyst Derived from Nanocasted Nickel Oxide
2019
Different nickel catalysts have been tested for the transformation of levulinic acid into &gamma
Comparative study of initial stages of copper immersion deposition on bulk and porous silicon
2013
Initial stages of Cu immersion deposition in the presence of hydrofluoric acid on bulk and porous silicon were studied. Cu was found to deposit both on bulk and porous silicon as a layer of nanoparticles which grew according to the Volmer-Weber mechanism. It was revealed that at the initial stages of immersion deposition, Cu nanoparticles consisted of crystals with a maximum size of 10 nm and inherited the orientation of the original silicon substrate. Deposited Cu nanoparticles were found to be partially oxidized to Cu2O while CuO was not detected for all samples. In contrast to porous silicon, the crystal orientation of the original silicon substrate significantly affected the sizes, dens…