Electrocatalysis : theoretical foundations and model experiments

Preface MULTISCALE MODELING OF ELECTROCHEMICAL SYSTEMS Introduction Introduction to Multiscale Modeling Electronic Structure Modeling Molecular Simulations Reaction Modeling The Oxygen Reduction Reaction on Pt(111) Formic Acid Oxidation on Pt(111) Concluding Remarks STATISTICAL MECHANICS AND KINETIC MODELING OF ELECTROCHEMICAL REACTIONS ON SINGLE-CRYSTAL ELECTRODES USING THE LATTICE-GAS APPROXIMATION Introduction Lattice-Gas Modeling of Electrochemical Surface Reactions Statistical Mechanics and Approximations Monte Carlo Simulations Applications to Electrosorption, Electrodeposition and Electrocatalysis Conclusions SINGLE MOLECULAR ELECTROCHEMISTRY WITHIN AN STM Introduction Experimental Methods for Single Molecule Electrical Measurements in Electrochemical Environments Electron Transfer Mechanisms Single Molecule Electrochemical Studies with an STM Conclusions and Outlook FROM MICROBIAL BIOELECTROCATALYSIS TO MICROBIAL BIOELECTROCHEMICAL SYSTEMS Prelude: From Fundamentals to Biotechnology Microbial Bioelectrochemical Systems (BESs) Bioelectrocatalysis: Microorganisms Catalzye Electrochemical Reactions Characterizing Anodic Biofilms by Electrochemical and Biological Means ELECTROCAPILLARITY OF SOLIDS AND ITS IMPACT ON HETEROGENEOUS CATALYSIS Introduction Mechanics of Solid Electrodes Electrocapillary Coupling at Equilibrium Exploring the Dynamics Mechanically Modulated Catalysis Summary and Outlook SYNTHESIS OF PRECIOUS METAL NANOPARTICLES WITH HIGH SURFACE ENERGY AND HIGH ELECTROCATALYTIC ACTIVITY Introduction Shape-Controlled Synthesis of Monometallic Nanocrystals with High Surface Energy Shape-Controlled Synthesis of Bimetallic NCs with High Surface Energy Concluding Remarks and Perspective X-RAY STUDIES OF STRAINED CATALYTIC DEALLOYED Pt SURFACES Introduction Dealloyed Bimetallic Surfaces Dealloyed Strained Pt Core-Shell Model Surfaces X-Ray Studies of Dealloyed Strained PtCu3(111) Single Crystal Surfaces X-Ray Studies of Dealloyed Strained Pt-Cu Polycrystalline Thin Film Surfaces X-Ray Studies of Dealloyed Strained Alloy Nanoparticles Conclusions Index