Active, selective and stable catalysts are imperative for sustainable energy conversion, engineering materials with such properties highly desired. High-entropy alloys (HEAs) offer a vast compositional space tuning properties. Too vast, however, to traverse without the proper tools. Here, we report use of Bayesian optimization on model based density functional theory (DFT) predict most active c...

Zirconium (Zr) element doping has proven to be an effective strategy for reinforcing the strength and toughness of Pt-Rh alloys. However, incorporation Zr into alloy in solid solution form renders its microstructural observation challenging through experimental means, thus complicating elucidation underlying mechanisms. Therefore, this study employs density functional theory-based first-princip...

An unusual reactivity of sterically hindered o-quinones with an annelated dithiete ring towards coordination at a dithiolene site has been discovered. New Pd and Pt dithiolate complexes have been synthesized. The reaction proceeds regioselectively, and the quinone site of the parent ligand is not affected even while using an excess of the metal complex. Both Pt and Pd complexes display a square...

Pt-Co thin-film electrocatalysts have been characterized using low-energy ion-scattering spectroscopy (LEISS), X-ray photoelectron spectroscopy (XPS), low-energy electron diffraction (LEED), temperature-programmed desorption (TPD) and electrochemistry (EC). For comparative purposes, LEISS and EC were also carried out on a bulk Pt(3)Co(111) single crystal. The extensive experimental work resulte...

The thermally activated formation of nanoscale CoPt alloys was investigated, after deposition of self-assembled Co nanoparticles on textured Pt(111) and epitaxial Pt(100) films on MgO(100) and SrTiO(3)(100) substrates, respectively. For this purpose, metallic Co nanoparticles (diameter 7 nm) were prepared with a spacing of 100 nm by deposition of precursor-loaded reverse micelles, subsequent pl...

Crystal phase regulations may endow materials with enhanced or new functionalities. However, syntheses of noble metal-based allomorphic nanomaterials are extremely difficult, and only a few successful examples have been found. Herein, we report the discovery of hexagonal close-packed Pt-Ni alloy, despite the fact that Pt-Ni alloys are typically crystallized in face-centred cubic structures. The...

In analytical chemistry, proficiency testing usually consists in tests that laboratories conduct under routine conditions and report the result to PT provider who then converts the result to a score which helps the participant to assess the accuracy of theresult. The aim of this work is to show PT providers, accreditations bodies and participating laboratories that different scoring results can...

Results on isothermal oxidation at 873 K for 90 h of Al–Pt coatings on Ti6242 coupons are reported. These coatings were obtained by low temperature, low pressure metalorganic chemical vapor deposition using Me3(MeCp)Pt(VI) and dimethylethylamine alane. Three coating architectures were investigated, namely pure Al, Pt and Al sequential sublayers, and co-deposited Al and Pt. Oxidation kinetics re...

Metal macrocycle based non-noble metal electrocatalysts (NNMEs) with highly efficient oxygen reduction reaction (ORR) activity, good stability, and excellent resistance to the methanol cross-over effect have been regarded as one of the most important alternatives for Pt or Pt based alloys, which are widely used in fuel cells. However, the expensive price of most metal macrocycles hinder further...

Irradiation experiments were conducted on multilayer (ML) and coevaporated (CO) thin films in order to examine the role that the heat-of-mixing (AH,,,,,) has in ion-induced gram growth. Room-temperature irradiations using 1.7 MeV Xe were performed in the High Voltage Electron Microscope at Argonne National Laboratory. The alloys studied (Pt-Ti, Pt-V, Pt-Ni, Au-Co and Ni-Al) spanned a large rang...