Density functional theory was used to study the CO oxidation catalytic activity of CeO(2)-supported Au nanoparticles (NPs). Experimental observations on CeO(2) show that the surface of CeO(2) is enriched with oxygen vacancies. We compare CO oxidation by a Au(13) NP supported on stoichiometric CeO(2) (Au(13)@CeO(2)-STO) and partially reduced CeO(2) with three vacancies (Au(13)@CeO(2)-3VAC). The ...

The mechanism of the CO oxidation promoted by a neutral Ag(55) cluster was investigated extensively, using density functional theory calculations. The CO oxidation process catalyzed by anionic and cationic Ag(55) clusters was also studied, to clarify the effects of the charge state. The Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms were discussed in detail. Six reaction pathways wer...

The catalytic oxidation of toluene over copper oxide supported on natural diatomite was investigated. The catalyst was prepared by the wet impregnation method and characterized by using the Brunauer Emmett Teller (BET), field emission Scanning Electron Microscopy (FESEM), X-ray diffraction (XRD), X-ray fluorescence (XRF) and Temperature-programmed reduction (TPR) analysis. The highest catalytic ...

The impregnation method was used to synthesize Pt and Pt3Co supported on MWCNTs applying NaBH4 as the reducing agent. The structure, morphology, and chemical composition of the electrocatalysts were characterized through SEM, XRD, and EDX. X-ray diffraction showed a good crystallinity of the supported Pt nanoparticles on the composites and showed the formation of Pt3<...

The catalytic oxidation of toluene over copper oxide supported on natural diatomite was investigated. The catalyst was prepared by the wet impregnation method and characterized by using the Brunauer Emmett Teller (BET), field emission Scanning Electron Microscopy (FESEM), X-ray diffraction (XRD), X-ray fluorescence (XRF) and Temperature-programmed reduction (TPR) analysis. The highest catalytic ...

In this study, Co (III) salen complex was synthesized and immobilized onto the surface of Fe3O4@SiO2 magnetic nanoparticle. The heterogeneous nanocatalyst was characterized by different techniques including X-ray diffraction (XRD), Fourier transform infrared spectra (FT-IR), thermogravimetric analysis (TGA), transmission electron microscopy (TEM), nitrogen adsorption−desorption isotherm (BET), ...

We use density functional theory calculations of Pt@Cu core@shell nanoparticles (NPs) to design bifunctional poison-free CO oxidation catalysts. By calculating the adsorption chemistry under CO oxidation conditions, we find that the Pt@Cu NPs will be active for CO oxidation with resistance to CO-poisoning. The CO oxidation pathway at the Pt-Cu interface is determined on the Pt NP covered with a...

The impregnation method was used to synthesize Pt and Pt3Co supported on MWCNTs applying NaBH4 as the reducing agent. The structure, morphology, and chemical composition of the electrocatalysts were characterized through SEM, XRD, and EDX. X-ray diffraction showed a good crystallinity of the supported Pt nanoparticles on the composites and showed the formation of Pt3<...

Engineering a bimetallic system with complementary chemical properties can be an effective way of tuning catalytic activity. In this work, CO oxidation on CeO2(111)supported Pd-based bimetallic nanorods was investigated using density functional theory calculations corrected by on-site Coulomb interactions. We studied a series of CeO2(111)supported Pd-based bimetallic nanorods (Pd−X, where X = A...

Catalysts with the formula of LaCo(1+x)O(3+δ), where 0 ≤ x ≤ 1, were studied for oxidation of CO and C2H6 in a synthetic exhaust gas, comprising 6.0 % CO and 0.2 % C2H6 in Ar. Ethane was selected as a model for hydrocarbons in the exhaust gas. The performance of catalysts is correlated to their properties, particularly their ...