Search results for " oxides"
showing 10 items of 166 documents
Tailoring oxide properties: An impact on adsorption characteristics of molecules and metals
2014
Abstract Both density functional theory calculations and numerous experimental studies demonstrate a variety of unique features in metal supported oxide films and transition metal doped simple oxides, which are markedly different from their unmodified counterparts. This review highlights, from the computational perspective, recent literature on the properties of the above mentioned surfaces and how they adsorb and activate different species, support metal aggregates, and even catalyse reactions. The adsorption of Au atoms and clusters on metal-supported MgO films are reviewed together with the cluster׳s theoretically predicted ability to activate and dissociate O 2 at the Au–MgO(100)/Ag(100…
Reduction and catalytic behaviour of heterobimetallic copper–lanthanide oxides
2008
Abstract The reduction of the heterobimetallic copper–lanthanide oxides 2CuO·CeO2 and 3CuO·Ln2CuO4 (Ln = La, Pr, Nd) was studied by H2-TG/DTA and H2-TPR. All systems exhibit two main reduction steps accompanied by mass losses in the temperature range 20–1000 °C. The first step was attributed to CuO reduction, whereas the second step is due either to copper reduction in the Ln2CuO4 phase with the concomitant formation of Ln2O3 or to the surface reduction of CeO2. The products were characterized by XRD, SEM, EDX, and BET techniques and are better described as supported copper type materials. They were active for the mesityl oxide (4-methyl-2-penten-2-one) gas phase hydrogenation.
Monitoring Chemical Reactions with SERS-Active Ag-Loaded Mesoporous TiO2 Films
2020
Monitoring chemical reactions that occur in small spaces or confined environments is challenging. Surface-enhanced Raman scattering (SERS) spectroscopy offers the unique possibility to monitor spectral changes with high sensitivity and time resolution. Herein, we report the application of composite mesoporous TiO2 films loaded with Ag nanoparticles (NPs) to track in situ chemical processes in real time. In particular, the AgNPs@TiO2 system was employed to monitor two chemical reactions: one occurring on the Ag NPs surface and another taking place in the surrounding solution. In the first case, we monitored the decarboxylation reaction of 4-mercaptobenzoic acid on Ag NPs, which allowed us to…
NOx selective catalytic reduction at high temperatures with mixed oxides derived from layered double hydroxides
2012
[EN] Mixed oxides derived from layered double hydroxides (LDHs) have been investigated as potential catalysts for the NOx removal at high temperatures. The best results were obtained with Co–Al mixed oxides derived from LDHs that are active at 750 ◦C in the presence of oxygen and water. These catalysts could reduce or/and decompose the NOx formed in the dense phase of the FCC regenerator, being deactivated at oxygen concentrations higher than 1.5%. Nevertheless this deactivation is not permanent and they would be regenerated after reduction with hydrogen at 530 ◦C. The influence of the layered double hydroxides (LDHs) preparation method on the catalyst activity was studied, observing that t…
Micro-Raman study of red decorations in French faiences of the 18th and 19th centuries
2006
Obtaining the red color was a technical and economic challenge for the French faience manufactories in the 18th and 19th centuries. The tendency of the red hematite to turn into drab brown during the firing process explains the difficulty in obtaining this color. Red decorations in shards coming from the four production centers of faience manufacturing during this period—Rouen (northwest), Nevers (central), Thiviers (southwest) and Argonne (northeast)—have been studied by means of micro-Raman spectroscopy, scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX). Among them, Thiviers appears to be the leader thanks to a particular reddish sandstone called ‘Gres de T…
Effect of different co-solvents on biodiesel production from various low-cost feedstocks using Sr–Al double oxides
2020
The main objective of the present paper comprises the investigation of biodiesel production from low-cost feedstock such as lard oil and waste cooking oil (WCO) using Sr-Al double oxides. Nanocatalyst was characterised FTIR, XRD, SEM, TEM, BET and XPS. The Sr:Al with 3:1 molar ratio showed the best catalytic activity in the conversion of both oils to fatty acid methyl ester. The effect of acetone and tetrahydrofuran (THF) as a co-solvent for transesterification were compared and the best result was obtained with 5 % THF. The mutual effect of the nanocatalyst and co-solvent on biodiesel production was investigated. The characterisation of biodiesel synthesised from lard oil and WCO was perfo…
Effects of Lithium Source and Content on the Properties of Li-Rich Layered Oxide Cathode Materials
2023
Lithium-rich layered oxide (LLO) are considered high-capacity cathode materials for next-generation lithium-ion batteries. In this study, LLO cathode materials were synthesized via the hydroxide coprecipitation method followed by a two-step lithiation process using different lithium contents and lithium sources. The effects of lithium content and lithium source on structure and electrochemical performance were investigated. This study demonstrated the clear impact of Li/TM ratio on electrochemical performance. Lower Li/TM ratio reduced the irreversible capacity loss in the first cycle and provided better cycling stability among all samples. The best results exhibited an initial discharge ca…
Optical Absorption of Excimer Laser‐Induced Dichlorine Monoxide in Silica Glass and Excitation of Singlet Oxygen Luminescence by Energy Transfer from…
2021
An optical absorption (OA) band of interstitial dichlorine monoxide molecules with peak at 4.7 eV and halfwidth 0.94 eV is identified in F2 laser - irradiated (photon energy=7.9 eV) synthetic silica glass bearing both interstitial O2 and Cl2 molecules. Alongside with intrinsic defects, this OA band can contribute to solarization of silica glasses produced from SiCl4. While the formation of ClClO is confirmed by its Raman signature, its structural isomer ClOCl may also contribute to this induced OA band. Thermal destruction of this band between 300C and 400C almost completely restores the pre-irradiation concentration of interstitial Cl2. An additional weak OA band at 3.5 eV is tentatively a…
Benson group additivity values of phosphines and phosphine oxides: Fast and accurate computational thermochemistry of organophosphorus species
2018
Composite quantum chemical methods W1X-1 and CBS-QB3 are used to calculate the gas phase standard enthalpy of formation, entropy, and heat capacity of 38 phosphines and phosphine oxides for which reliable experimental thermochemical information is limited or simply nonexistent. For alkyl phosphines and phosphine oxides, the W1X-1, and CBS-QB3 results are mutually consistent and in excellent agreement with available G3X values and empirical data. In the case of aryl-substituted species, different computational methods show more variation, with G3X enthalpies being furthest from experimental values. The calculated thermochemical data are subsequently used to determine Benson group additivity …
Benson group additivity values of phosphines and phosphine oxides : Fast and accurate computational thermochemistry of organophosphorus species
2019
Composite quantum chemical methods W1X-1 and CBS-QB3 are used to calculate the gas phase standard enthalpy of formation, entropy and heat capacity of 38 phosphines and phosphine oxides for which reliable experimental thermochemical information is limited or simply nonexistent. For alkyl phosphines and phosphine oxides, the W1X-1 and CBS-QB3 results are mutually consistent and in excellent agreement with available G3X values and empirical data. In the case of aryl-substituted species, different computational methods show more variation, with G3X enthalpies being furthest from experimental values. The calculated thermochemical data are subsequently used to determine Benson group additivity co…