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Full Description
Electrocatalysts are the heart of power devices where electricity is produced via conversion of chemical into electrical energy. - pressive advances in surface science techniques and in first pr- ciples computational design are providing new avenues for signi- cant improvement of the overall efficiencies of such power dev- es, especially because of an increase in the understanding of el- trocatalytic materials and processes. For example, the devel- ment of high resolution instrumentation including various electron and ion-scattering and in-situ synchrotron spectroscopies, elect- chemical scanning tunneling microscopy, and a plethora of new developments in analytical chemistry and electrochemical te- niques, permits the detailed characterization of atomic distribution, before, during, and after a reaction takes place, giving unpre- dented information about the status of the catalyst during the re- tion, and most importantly the time evolution of the exposed ca- lytic surfaces at the atomistic level.
These techniques are c- plemented by the use of ab initio methods which do not require input from experimental information, and are based on numerical solutions of the time-independent Schrodinger equation including electron-electron and electron-atom interactions. These fir- principles computational methods have reached a degree of - turity such that their use to provide guidelines for interpretation of experiments and for materials design has become a routine practice in academic and industrial communities.
Contents
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.
