Related papers: B dopant evolution in Pd catalysts after H evoluti…
A simple method for the preparation of PdCo@Pd core-shell nanoparticles supported on carbon has been developed using an adsorbate-induced surface segregation effect. The stability and electrocatalytic activity for the oxygen reduction of…
High temperature superconductivity in cuprates is realized by doping the Mott insulator with charge carriers. A central issue is how such an insulating state can evolve into a conducting or superconducting state when charge carriers are…
The burgeoning interest in 2D black phosphorus (bP) contributes to expand its applications in countless fields. In the present study, 2D bP is used as a support for homogeneously dispersed palladium nanoparticles directly grown on it by a…
Transition metal carbides have sparked unprecedented enthusiasm as high-performance catalysts in recent years. Still, the catalytic properties of copper (Cu) carbide remain unexplored. By introducing subsurface carbon (C) to Cu(111),…
Transition metal dichalcogenides offer unprecedented versatility to engineer 2D materials with tailored properties to explore novel structural and electronic phase transitions. In this work, we present the atomic-scale evolution of the…
The search for highly efficient and low-cost catalysts based on earth abundant elements is one of the main driving forces in organic and inorganic chemistry. Current strategies for the heterogeneous catalyst design focus on increasing the…
We find that thin peptide films and coatings doped with metallic nanoparticles are more stable due to the role of electromagnetic fluctuations. It is shown that for the doped freestanding in vacuum peptide film the Casimir attraction…
A new model for the intermediate compound of the hydrogen evolution reaction (HER) is proposed, for the electrochemical reduction of hydrogen in the presence of bisulfate on platinum(111). The formation of this compound, a regular 2…
Engineered $Na_{0.75}CoO_2$ is considered a prime candidate to achieve high-efficiency thermoelectric systems to regenerate electricity from waste heat. In this work, three elements with outmost electronic configurations, (1) an open d…
In this work we study the tertiary structure of ionic surfactants when the pH in the system is modified using electrostatic dissipative particle dynamics simulations (DPD). The dependence with pH and kind of surfactant is presented. Our…
We extend our previous investigation of the effects of pre-hydrodynamic evolution on final-state observables in heavy-ion collisions to smaller systems. We use a state-of-the-art hybrid model for the numerical simulations with optimal…
Breakthrough experiments have newly explored the fascinating physics of dipolar quantum droplets and supersolids. The recent realization of dipolar mixtures opens further intriguing possibilities. We show that under rather general…
Niobium superconducting radiofrequency cavities enable applications in modern accelerators and quantum computers. However, the surface resistance significantly deteriorates the cavities performance. Nitrogen doping surface treatment can…
The sensitive and reliable in-droplet chemical analysis benefits from the enhanced partition of an analyte into the droplets. This work, we will show that chemical reactions in surface nanodroplets can shift the partition of analytes from a…
The pathway of the oxygen evolution reaction at the Pt(111)/water interface is disclosed through constant Fermi level molecular dynamics. Upon the application of a positive bias potential H 2 O ads and OH ads adsorbates are found to arrange…
Electrochemical energy and substance conversion devices involve complex electrode processes, characterized by multiple charge transfer steps, competing pathways, and various intermediates. Such complexity makes it challenging to enhance…
Solvent exchange is a simple method to produce surface nanodroplets on a substrate for a wide range of applications by displacing a solution of good solvent, poor solvent and oil (Solution A) by a poor solvent (Solution B). In this work, we…
Nanoparticle surface structure and geometry generally dictate where chemical transformations occur, with the low-coordination-number, high-radius-of-curvature sites being energetically-preferred. Here, we show how optical excitation of…
Understanding the effects of atomic structure modification in hematite photoanodes is essential for the rational design of high-efficiency functionalizations. Recently it was found that interface modification with Sn/Sb segregates…
Materials carrying topological surface states (TSS) provide a fascinating platform for the hydrogen evolution reaction (HER). Based on systematic first-principles calculations for $A_3 B$ ($A$ = Ni, Pd, Pt; $B$ = Si, Ge, Sn), we propose…