3 Review(s)

This book reviews the current status of efforts to predict properties of electrochemical interfaces. Recent work requires large-scale computation in most cases, but the chapters in this volume discuss theoretical inputs and approaches as well as computational techniques. The book emphasizes efforts which are based on first principles starting with the Schroedinger equation, but which draw conclusions relevant to electrochemical phenomena on time and length scaleswhich are larger than those directly accessible by first principles methods. Divided into three sections, this volume examines the structure of the interface, modeling of electron transfer interactions, and the special problems and challenges associated with oxide/electrolyte interfaces. The volume alsoincludes review of experimental studies relevant to these modeling efforts.