Trimetallic Au–Pd–Pt nanoparticles have been supported on activated carbon by the sol-immobilisation method. They are found to be highly active and selective catalysts for the solvent-free aerobic oxidation of benzyl alcohol. The addition of Pt promotes the selectivity to the desired product benzaldehyde at the expense of toluene formation. Detailed aberration corrected STEM-XEDS analysis confi...

We present theoretical and experimental results on the electronic, magnetic, and structural properties of L10 FePd, FePt, and FePtxPd12x alloys. These alloys have large magnetizations and magnetocrystalline anisotropies and as such are potentially technologically important for applications as permanent magnets or high-density storage media. Results of first principles electronic structure calcu...

The segregation behavior of the bimetallic alloys PtPd and CoCr in the case of bare surfaces and in the presence of an oxygen ad-layer has been studied by means of first-principles modeling based on density-functional theory (DFT). For both systems, change of the dband filling due to charge transfer between the alloy components, resulting in a shift of the d-band center of surface atoms compare...

The electrochemical behavior of lithium bis~trifluoromethanesulfonyl!imide in ethyl methyl sulfone was studied. The coulombic efficiencies for the oxidation-reduction of lithium at platinum, aluminum, and mercury electrodes were 50, 93, and 99%, respectively. A comparison of the results with Pt, Al, and Hg electrodes suggests that chemical reactions of lithium with the electrolyte contribute to...

We have investigated the segregation of Pt atoms to the surfaces of Pt-Re nanoparticles using the Monte Carlo method and modified embedded-atom method potentials that we have developed for Pt-Re alloys. The Pt(75)Re(25) nanoparticles (containing from 586 to 4,033 atoms) are assumed to have disordered fcc configurations and cubo-octahedral shapes (terminated by [111] and [100] facets), while the...

The project was launched on September 15, 2009. Over the grant period, we have accomplished all the research objectives proposed in the proposal. Specifically, we have developed and performed Monte Carlo (MC) simulations predicting the surface composition of a series of Pt binary and ternary alloy catalysts, carried out first-principles transition state calculations of the ORR on Pt and Pt allo...

Platinum-diffused γ+γ' coatings (~20 at.% Al, ~22 at.% Pt) were synthesized on René 142 and René N5 Ni-based superalloys by electroplating the substrates with ~7 μm of Pt, followed by an annealing treatment in vacuum at 1175°C. In order to study the compositional and microstructural evolution of these coatings at elevated temperatures, interdiffusion experiments were carried out on coated speci...

In this work, the electrocatalytic oxidation of ethanol was studied in acidic media at the wholly electrosynthesized nanocomposites: platinum and its alloys (copper and nickel) anoparticles/reduced graphene oxide on the carbon-ceramic electrode (Pt/rGO/CCE, Pt-Cu/rGO/CCE, and Pt-Ni/rGO/CCE electrocatalysts). The electrosynthesized nanocomposites were characterized by scan...

The internal oxidation o f dilute Pd alloys has been studied by XAS. Pt, Au, Pb and Bi in Pd form no impurity-oxygen complexes. Y, Nb, Gd, Yb, Lu, H f , Th, Zr and Mo precipitate at 1050°C as oxides. In a recent paper /1/ it was shown how X-ray absorption spectroscopy (XAS) can be used to investigate the internal oxidation of impurities in dilute alloys. It was demonstrated in the case of a @Zr...

2014 Crystallographic and kinetic characteristics of martensitic transformations and parameters of shape memory effect in B2 compounds of titanium Ti50Ni50-xXx (X = Fe, Co, Pd, Pt, Au, Cu) and Ti50Pd50-xYx (Y = Fe, Co, Cu), where 0 ~ x ~ 50 are investigated. Temperature, hysteresis, value of reversible deformation and stress of martensitic shear for martensitic transformations and shape memory ...