Hydrogen Evolution on Reduced Graphene Oxide-Supported PdAu Nanoparticles

Hydrogen evolution reaction (HER) was investigated on reduced graphene oxide (rGO)-supported Au and PdAu nanoparticles in acid solution. The graphene spread over glassy carbon (rGO/GC) was used as a support for the spontaneous deposition of Au and Pd. The resulting Au/rGO and PdAu/rGO electrodes were characterized using atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS) techniques. Phase AFM images have shown that the edges of the rGO sheets were active sites for the deposition of both Au and Pd. XPS analysis revealed that the atomic percentages of both Au and PdAu nanoparticles were slightly higher than 1%. The activity of the PdAu/rGO electrode for the HER was remarkably high, with the overpotential close to zero. HER activity was stable over a 3 h testing time, with a low Tafel slope of approx. −46 mV/dec achieved after prolonged hydrogen evolution at a constant potential.

Pd Single-Atom Sites on the Surface of PdAu Nanoparticles: A DFT-Based Topological Search for Suitable Compositions

Structure of model bimetallic PdAu nanoparticles is analyzed aiming to find Pd:Au ratios optimal for existence of Pd1 single-atom surface sites inside outer Au atomic shell. The analysis is performed using density-functional theory (DFT) calculations and topological approach based on DFT-parameterized topological energy expression. The number of the surface Pd1 sites in the absence of adsorbates is calculated as a function of Pd concentration inside the particles. At low Pd contents none of the Pd atoms emerge on the surface in the lowest-energy chemical orderings. However, surface Pd1 sites become stable, when Pd content inside a Pd-Au particle reaches ca. 60%. Further Pd content increase up to almost pure Pd core is accompanied by increased concentration of surface Pd atoms, mostly as Pd1 sites, although larger Pd ensembles as dimers and linear trimers are formed as well. Analysis of the chemical orderings inside PdAu nanoparticles at different Pd contents revealed that enrichment of the subsurface shell by Pd with predominant occupation of its edge positions precedes emergence of Pd surface species.

Bare laser-synthesized palladium–gold alloy nanoparticles as efficient electrocatalysts for glucose oxidation for energy conversion applications

Laser-synthesized PdAu nanoparticles demonstrate a strong synergetic effect on glucose oxidation combining high catalytic activity with ultrafast kinetics at low potentials.

Adaptive kinetic Monte Carlo simulations of surface segregation in PdAu nanoparticles

Surface segregation in bimetallic nanoparticles is critically important for their catalytic activity. Here, we use the adaptive kinetic Monte Carlo method to model the segregation dynamics in PdAu NPs over experimentally relevant time scales and demonstrate thermodynamically unfavorable Au@Pd core–shell and alloy NPs can be kinetically trapped at low temperature.

Ultrafine PdAu nanoparticles immobilized on amine functionalized carbon black toward fast dehydrogenation of formic acid at room temperature

Ultrafine and highly dispersed PdAu nanoparticles were immobilized on amine functionalized carbon black (VXC-72-NH2) for dehydrogenation of formic acid (FA).