We demonstrate automated generation of diffusion databases from high-throughput density functional theory (DFT) calculations. A total of more than 230 dilute solute diffusion systems in Mg, Al, Cu, Ni, Pd, and Pt host lattices have been determined using multi-frequency diffusion models. We apply a correction method for solute diffusion in alloys using experimental and simulated values of host s...

We determine the composition of intrinsic as well as extrinsic contributions to the anomalous Hall effect (AHE) in the isoelectronic L1_{0} FePd and FePt alloys. We show that the AHE signal in our 30 nm thick epitaxially deposited films of FePd is mainly due to an extrinsic side jump, while in the epitaxial FePt films of the same thickness and degree of order the intrinsic contribution is domin...

The basis for developing a new dental alloy with high Au content is appropriate chemical composition and manufacturing technology. The demands which have to be met when developing a new dental alloy are linked with fulfilling the necessary requirements for making the alloy suitable for use in metal-ceramic restorations. Due to the stress generated by masticatory forces, alloys for dental restor...

Nanoparticle alloys of platinum (Pt) and another metal are desirable for catalytic applications to decrease the loading of the precious metal and alter the physiochemical structure of these materials to enhance their catalytic properties. This study explores the potential of producing gold and platinum nanoparticle alloys using a microplasma reduction technique. In this process, metal salt prec...

We report the combinatorial and high-throughput optimization of improved ternary Pt alloy electrocatalysts for the oxidation of methanol for use in direct methanol fuel cell (DMFC) anodes. Following up on the discovery of a ternary Pt20Co60Ru20 catalyst with significantly improved electrocatalytic activity for methanol oxidation over standard Pt-Ru catalysts, we optimize the electrocatalytic ac...

Z. Naturforsch. 50b, 333-338 (1995); received September 9, 1994 Nanometallic Organosols, Alloy Colloids of Pt/Rh, Catalysis Bimetallic Pt/Rh colloids protected by NR4+or PR4+ groups are accessible by the co­ reduction of PtCl2 and RhCl3 using hydrotriorganoborates in organic media. According to TEM the particle size ranges from 1.9 to 2.5 nm. EDX point analysis of several samples has shown that...

We have prepared an yttrium modified Pt(111) single crystal under ultra-high vacuum conditions, simulating a bulk alloy. A Pt overlayer is formed upon annealing the crystal above 800 K. The annealed structure binds CO weaker than Pt(111), with a pronounced peak at 295 K in the temperature programmed desorption of CO. When depositing a large amount of yttrium at 1173 K, a (1.88 × 1.88)R30° struc...

The catalytic activity of deposited Pt(7) clusters has been studied as a function of the reduction state of the TiO(2)(110)-(1 × 1) support for the CO oxidation reaction. While a slightly reduced support gives rise to a high catalytic activity of the adparticles, a strongly reduced one quenches the CO oxidation. This quenching is due to thermally activated diffusion of Ti(3+) interstitials from...

Core level photoemission spectroscopy of the Pt 4f7/2 level is used to investigate the surface and bulk Pt environments in the disordered alloy Pt25Co75. For the (1 10) face no Pt is observed at the surface, and only a single Pt bulk site is identified with a chemical shift of 250meV. For the denser (100) face the same bulk site is observed together with a surface peak, corresponding to a surfa...

The work function (WF) of several phases of Pt-Al alloys is investigated. A first-principles study is performed to determine the dependence of the vacuum WF (VWF) on the phase, crystallographic orientation, and atomic termination. In parallel, the effective WF (EWF) of these alloys is experimentally measured using metal-oxide semiconductor devices. A detailed microstructural characterization ba...