Past and Current Models in Electrochemistry

This monograph provides a comprehensive overview of the key experimental and theoretical developments in electrochemistry from the 1800s to the 2020s. It gives the readers an understanding of the historical beginnings of electrochemical science and the significant advances that have shaped our current knowledge. The book traces the evolution of computational and model approaches used in electrochemistry, emphasizing both historical and present-day quantum chemical theories related to electrocatalysis. It offers insights into phenomenological understanding and mathematical expressions while it also provides an accessible overview for theorists new to electrochemistry who are interested in exploring this field. The book serves as a valuable reference for electrochemists interested in the history of their field and the evolving contributions of quantum chemistry.

Reviews the rapidly expanding field of applying quantum mechanics to electrocatalysis Presents a historical overview of concepts and models for understanding electrochemistry A great resource for electrochemists and computational chemists

Autorentext

Professor Alfred Anderson is an Emeritus Professor of Chemistry at Case Western Reserve University, where he has served in various academic positions since 1979. His tenure at the Chemistry Department includes roles as Assistant Professor (1979), Associate Professor (1981), and Full Professor (1986). He is also a member of the Case Center for Electrochemical Sciences, founded by Ernest Yeager, and has joint appointments in the Departments of Metallurgy and Ceramics and Chemical Engineering. His academic journey began with an A.B. from Cornell University in June 1964, followed by Ph.D. research under Robert G. Parr at Johns Hopkins University, completed in November 1970. He then held research associate positions with Harrison Shull at Indiana University (August 1971 - September 1972), Roald Hoffmann at Cornell University (September 1972 - September 1974), and Arthur Hubbard at UCSB (August 1977 - January 1979). Additionally, he was a J. W. Gibbs Instructor in Chemistry at Yale University from September 1974 to August 1977. Professor Anderson's research contributions are substantial, with approximately 250 peer-reviewed theory papers published. Around 90 of these papers focus on electrochemistry, while the remainder primarily address surface science, vibrational spectroscopy, and solid state materials science phenomena. His expertise has been recognized through over 100 presentations at national and international conferences, universities, companies, and government laboratories.

Inhalt

Classical theories for electrochemical measurements and electrocatalysis.- Born model for ion solvation energies.- Models of the 1950s and 1960s.- Further explorations on the Gurney-Butler and Marcus-Hush themes.- Interplay of new spectroscopies and semiempirical molecular orbital theory: 1970s-1980s. The chemical bond is robust under perturbation.- Electronic structure picture of anode, cathode: Equilibrium with no current and conditions at steady state with current flowing.- Double layer formation on insulators.- Quantum theories for predicting reversible potentials and activation energies for electron transfer reactions, but still omitting surface charging and double layer polarization: 1980's to present time.- Advanced First Principles Methods.- Advanced first principles studies involving hydrogen adsorption.- First principles modeling at the pzc including polarizable electrolyte: oxygen reactions on the Pt cathode and electroless copper deposition.- Recent studies of pH dependence of surface reactions.- Concluding comments and the view ahead.