Theory and Experiment in Electrocatalysis

Characterization of Alloy Electrocatalysts by Combined Low-Energy Ion Scattering Spectroscopy and Electrochemistry.- Recent Advances in Theoretical Aspects of Electrocatalysis.- Computational Simulations on the Oxygen Reduction Reaction in Electrochemical Systems.- Molecular-Level Modeling of the Structure and Proton Transport within the Membrane Electrode Assembly of Hydrogen Proton Exchange Membrane Fuel Cells.- Some Recent Studies on the Local Reactivity of O2 on Pt3 Nanoislands Supported on Mono- and Bi-Metallic Backgrounds.- Methanol Electro-Oxidation by Meth anol Dehydrogenase Enzymatic Catalysts: A Computational Study.- Electrocatalytic Reactions of Chemisorbed Aromatic Compounds: Studies by ES, DEMS, STM and EC.- A review of Continuum Electrochemical Engineering Models and a Novel Monte Carlo Approach to Understand Electrochemical Behavior of Lithium-Ion Batteries.- Challenges in the Design of Active and Durable Alloy Nanocatalysts for Fuel Cells.- Determination of Reaction Mechanisms Occurring at Fuel Cell Electrocatalysts Using Electrochemical Methods, Spectroelectrochemical Measurements and Analytical Techniques.- In-Situ Synchrotron Spectroscopic Studies of Electrocatalysis on Highly Dispersed Nano-Materials.

Topics in Number 50 include:

• Investigation of alloy cathode Electrocatalysts

• A model Hamiltonian that incorporates the solvent effect to gas-phase density functional theory (DFT) calculations

• DFT-based theoretical analysis of ORR mechanisms

• Structure of the polymer electrolyte membranes (PEM)

• ORR investigated through a DFT-Green function analysis of small clusters

• Electrocatalytic oxidation and hydrogenation of chemisorbed aromatic compounds on palladium

Electrodes

• New models that connect the continuum descriptions with atomistic Monte Carlo simulations

• ORR reaction in acid revisited through DFT studies that address the complexity of Pt-based alloys in electrocatalytic processes

• Use of surface science methods and electrochemical techniques to elucidate reaction mechanisms in electrocatalytic processes

• In-situ synchrotron spectroscopy to analyze electrocatalysts dispersed on nanomaterials

From reviews of previous volumes:

“Continues the valuable service that has been rendered by the Modern Aspects series.” ―Journal of Electroanalytical Chemistry

“Extremely well-referenced and very readable.... Maintains the overall high standards of the series.” ―Journal of the American Chemical Society