Composition-Dependent Oxygen Reduction Reaction Activity of Pt-Surfaced PtNi Dodecahedral Nanoframes

Kinetic interactions between H2 and CO in catalytic oxidation over PdO

MXene Materials for the Electrochemical Nitrogen Reduction—Functionalized or Not?

Structural and electronic properties of Fe dopants in cobalt oxide nanoislands on Au(111)

Molybdenum Trioxide (α-MoO3) Nanoribbons for Ultrasensitive Ammonia (NH3) Gas Detection: Integrated Experimental and Density Functional Theory Simulation Studies

Enhancing Oxygen Exchange Activity by Tailoring Perovskite Surfaces

Anisotropic iron-doping patterns in two-dimensional cobalt oxide nanoislands on Au(111)

Ultrasensitive ammonia (NH3) gas sensor: DFT Simulation-Directed Selection of High-Performance Metal-Doped Molybdenum Tri-oxide (α-MoO3) Nanoribbons for NH3 Detection

The effect of single pd atoms on the energetics of recombinative O2 desorption from Au(111)

Interface engineering for a rational design of poison-free bimetallic CO oxidation catalysts

Microwave-Assisted Synthesis of PdxAu100–xAlloy Nanoparticles: A Combined Experimental and Theoretical Assessment of Synthetic and Compositional Effects upon Catalytic Reactivity

Computational screening of core@shell nanoparticles for the hydrogen evolution and oxygen reduction reactions

Efficient CO Oxidation Using Dendrimer-Encapsulated Pt Nanoparticles Activated with <2% Cu Surface Atoms

A Theoretical and Experimental Approach for Correlating Nanoparticle Structure and Electrocatalytic Activity

Ridge-based bias potentials to accelerate molecular dynamics

ChemInform Abstract: Correlating Structure and Function of Metal Nanoparticles for Catalysis

Distributed replica dynamics

Oxygen Activation and Reaction on Pd–Au Bimetallic Surfaces

Effect of annealing in oxygen on alloy structures of Pd–Au bimetallic model catalysts

Annealing in an oxygen ambient stabilizes Pd atoms on Pd–Au surfaces, resulting in higher oxygen uptake and CO oxidation activity.

Correlating Structure and Function of Metal Nanoparticles for Catalysis

Control of selectivity in allylic alcohol oxidation on gold surfaces: the role of oxygen adatoms and hydroxyl species

Gold catalysts display high activity and good selectivity for partial oxidation of a number of alcohol species.

Unusual Activity Trend for CO Oxidation on PdxAu140–x@Pt Core@Shell Nanoparticle Electrocatalysts

Computational Design of Alloy-Core@Shell Metal Nanoparticle Catalysts

EON: software for long time simulations of atomic scale systems

Microwave Synthesis of Classically Immiscible Rhodium–Silver and Rhodium–Gold Alloy Nanoparticles: Highly Active Hydrogenation Catalysts

Oxygen and Hydroxyl Species Induce Multiple Reaction Pathways for the Partial Oxidation of Allyl Alcohol on Gold

A theoretical and experimental examination of systematic ligand-induced disorder in Au dendrimer-encapsulated nanoparticles

Efficient Electrocatalytic Oxidation of Formic Acid Using Au@Pt Dendrimer-Encapsulated Nanoparticles

Design of Pt-Shell Nanoparticles with Alloy Cores for the Oxygen Reduction Reaction

CO Oxidation at the Au–Cu Interface of Bimetallic Nanoclusters Supported on CeO2(111)

An Experimental and Theoretical Investigation of the Inversion of Pd@Pt Core@Shell Dendrimer-Encapsulated Nanoparticles

Tuning the Oxygen Reduction Activity of Pd Shell Nanoparticles with Random Alloy Cores

Au@Pt dendrimer encapsulated nanoparticles as model electrocatalysts for comparison of experiment and theory

Catalytic Activity of Pd/Cu Random Alloy Nanoparticles for Oxygen Reduction