Cover Image

Competing adsorption of H and CO on Pd-alloy surfaces: Mechanistic insight into the mitigating effect of Cu on CO poisoning

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Ekborg-Tanner, Pernilla, Erhart, Paul
Format:	Preprint
Published:	2026
Subjects:	Materials Science Mesoscale and Nanoscale Physics Chemical Physics Computational Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Tailoring hot-carrier distributions of plasmonic nanostructures through surface alloying
by: Fojt, Jakub, et al.
Published: (2023)

rhodent: A Python package for analyzing real-time TDDFT response
by: Fojt, Jakub, et al.
Published: (2025)

Time-dependent density-functional study of hydrogen adsorption and scattering on graphene surfaces
by: Taylor, Samuel S., et al.
Published: (2024)

Construction and sampling of alloy cluster expansions -- A tutorial
by: Ekborg-Tanner, Pernilla, et al.
Published: (2024)

Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra
by: Xu, Nan, et al.
Published: (2023)

The effect of ligands on the size distribution of copper nanoclusters: insights from molecular dynamics simulations
by: Elishav, Oren, et al.
Published: (2024)

Single Cu Atom Sites on Co3O4 Activate Interfacial Oxygen for Enhanced Reactivity and Selective Gas Sensing at Low Temperature
by: Shin, Hamin, et al.
Published: (2025)

Pyridyl-functionalized tripod molecules on Au(111): Interplay between H-bonding and metal coordination
by: Mohammad, Sajjan, et al.
Published: (2024)

Surface magnetic stabilization and the photo-emission chiral-induced spin-selectivity effect
by: Monti, Oliver L. A., et al.
Published: (2024)

Impact of Surface Adsorbates and Dimensionality on Templating of Halide Perovskites
by: Fransson, Erik, et al.
Published: (2024)

Singlet Fission among two Single Molecules
by: Paul, Sumanta, et al.
Published: (2025)

Tunable quantum anomalous Hall effect in fullerene monolayers
by: Pingen, Leonard Werner, et al.
Published: (2025)

Semiconductive and Ferromagnetic Lanthanide MXenes Derived from Carbon Intercalated Two-dimensional Halides
by: Fang, Qian, et al.
Published: (2024)

Unveiling the amorphous ice layer during premelting using AFM integrating machine learning
by: Tang, Binze, et al.
Published: (2025)

Efficient Treatment of Relativistic Effects with Periodic Density Functional Methods: Energies, Gradients, and Stress Tensors
by: Franzke, Yannick J., et al.
Published: (2023)

Effects of Structural Variations to X-ray Absorption Spectra of g-C$_3$N$_4$: Insights from DFT and TDDFT Simulations
by: Zhang, Jun-Rong, et al.
Published: (2024)

Doping-Induced Enhancement of Hydrogen Evolution at MoS2 Electrodes
by: Hanslin, Sander Ø., et al.
Published: (2024)

Dissipative split-charge formalism: Ohm's law, Nyquist noise, and non-contact friction
by: Müser, Martin H.
Published: (2024)

Dichotomy between Level Broadening and Level Coupling to Electrodes in Large Area EGaIn Molecular Junctions
by: Baldea, Ioan
Published: (2024)

Can Neural Networks Learn Nanoscale Friction?
by: Shabani, Mahboubeh, et al.
Published: (2024)

Thermal Conductivity Limits of MoS$_2$ and MoSe$_2$: Revisiting High-Order Anharmonic Lattice Dynamics with Machine Learning Potentials
by: Kocabas, Tugbey, et al.
Published: (2025)

Molecular Origins of Exciton Condensation in Van der Waals Heterostructure Bilayers
by: Torres, Lillian I. Payne, et al.
Published: (2024)

Magnetoelectric effect in the mixed valence polyoxovanadate cage V$_{12}$
by: Kozłowski, Piotr
Published: (2025)

The spinterface mechanism for the chiral-induced spin selectivity effect: A Critical Perspective
by: Sarkar, Subhajit, et al.
Published: (2025)

Intrinsic Fracture Nonreciprocity at the Nanoscale
by: Zhao, Siwei, et al.
Published: (2025)

Electron-electrolyte coupling in AC transport through nanofluidic channels
by: Coquinot, Baptiste, et al.
Published: (2025)

Trion formation resolves observed peak shifts in the optical spectra of transition metal dichalcogenides
by: Sayer, Thomas, et al.
Published: (2023)

Understanding the Optoelectronic Processes in Colloidal 2D Multi-Layered MAPbBr3 Perovskite Nanosheets: Funneling, Recombination and Self-Trapped Excitons
by: Niebur, André, et al.
Published: (2024)

Sulfur and sulfur-oxide compounds as potential optically active defects on SWCNTs
by: Mihm, Tina N., et al.
Published: (2024)

Twisto-electrochemical activity volcanoes in Trilayer Graphene
by: Babar, Mohammad, et al.
Published: (2023)

MoSi$_2$N$_4$-like crystals -- the new family of two-dimensional materials
by: Latychevskaia, Tatiana, et al.
Published: (2025)

Ultrafast laser synthesis of zeolites
by: Galioglu, Sezin, et al.
Published: (2025)

Spontaneous spiral patterns etched on Germanium
by: Wong, Yilin, et al.
Published: (2025)

Coherent Spectroscopic Probes of Topology: A Velocity-Gauge Perspective
by: Bittner, Eric R, et al.
Published: (2025)

Coulombic control of charge transfer in luminescent radicals with long-lived quartet states
by: Matasovic, Lujo, et al.
Published: (2025)

Thin-wall Single-crystal Gold Nanoelectrodes towards Advanced Chemical Probing and Imaging
by: Sabzehparvar, Milad, et al.
Published: (2025)

Electrocatalytic Hydrogen Peroxide Generation Using WO$_3$ Nanoparticle-Decorated Sodium Niobate Microcubes
by: Antonin, Vanessa S, et al.
Published: (2025)

Efficient $GW$ band structure calculations using Gaussian basis functions and application to atomically thin transition-metal dichalcogenides
by: Pasquier, Rémi, et al.
Published: (2025)

A copper sulfide-hydroxypropyl $β$-Cyclodextrin-reduced graphene oxide composite for highly sensitive electrochemical detection of 5-hydroxytryptamine in biological samples
by: Santhan, Aravindan, et al.
Published: (2025)

Formation of highly stable interfacial nitrogen gas hydrate overlayers under ambient conditions
by: Fang, Chung-Kai, et al.
Published: (2024)