56 research outputs found
Field-dependent chemisorption of carbon monoxide and nitric oxide on platinum-group (111) surfaces: Quantum chemical calculations compared with infrared spectroscopy at electrochemical and vacuum-based interfaces
Ab Initio Calculations of Intermediates of Oxygen Reduction on Low-Index Platinum Surfaces
Field-Dependent Electrode−Chemisorbate Bonding: Sensitivity of Vibrational Stark Effect and Binding Energetics to Nature of Surface Coordination
Field-Dependent Chemisorption of Carbon Monoxide on Platinum-Group (111) Surfaces: Relationships between Binding Energetics, Geometries, and Vibrational Properties as Assessed by Density Functional Theory
A Periodic Density Functional Theory Analysis of CO Chemisorption on Pt(111) in the Presence of Uniform Electric Fields
Potential-Dependent Chemisorption of Carbon Monoxide at a Gold Core−Platinum Shell Nanoparticle Electrode: A Combined Study by Electrochemical in Situ Surface-Enhanced Raman Spectroscopy and Density Functional Theory
Recent trends in experimental and theoretical investigations of chemisorptions on metal-electrolyte interface. I. In situ spectroscopic studies and the density functional theory calculations
Theoretical Study of the Adsorption and Dissociation of Oxygen on Pt(111) in the Presence of Homogeneous Electric Fields
- …