Solid-Liquid Interface Theory
Published on 27. September 2001
Book
Hardback
252 pages
978-0-8412-3717-9 (ISBN)
Description
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 scales
which 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 also
includes review of experimental studies relevant to these modeling efforts.
which 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 also
includes review of experimental studies relevant to these modeling efforts.
Reviews / Votes
One cannot but admire the authors' and the editors' devotion ... the book will undoubtedly become a treasured part of interfacial studies. * Current Engineering Practice *More details
Series
Language
English
Place of publication
Washington
United States
Publishing group
Oxford University Press Inc
Target group
Professional and scholarly
Illustrations
52 line illus, 14 halftones
Dimensions
Height: 238 mm
Width: 157 mm
Thickness: 18 mm
Weight
457 gr
ISBN-13
978-0-8412-3717-9 (9780841237179)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Person
Content
Preface ; PART 1: ELECTRONIC PROPERTIES OF THE METAL-SOLVENT INTERFACE ; 1. Electronic Structure Studies of the Interaction of Water with a Cu(100) Surface ; 2. Direct Dynamics Simulations of the Copper-Water Interface: Successes and Problems ; 3. Electronic Properties at a Metal-Solution Interface as Viewed by Solid-State NMR ; PART 2: MODELING REACTION RATES ; 4. Calculating Adiabatic Potential Energy Surfaces for Electrochemical Reactions ; 5. Modeling Metal Dissolution in Aqueous Electrolyte: Hartree-Fock and Molecular Dynamics Calculations ; 6. Electron Wave Packet Propagation Studies of Electron Transfer at the Semiconductor-Liquid Interface ; PART 3: OXIDES AT LIQUID-SOLID INTERFACES ; 7. An X-ray Diffraction Study of the Passive Oxide Film on Iron ; 8. Modeling Dynamic Properties of Mineral Surfaces ; 9. Molecular Statics Calculations of Acid-Base Reactions on Magnetite (001) ; 10. Electronic Structure and Chemical Reactivity of Metal Oxides-Water Interface ; 11. Modeling of Semiconductor-Electrolyte Interfaces with Tight-Binding Molecular Dynamics ; PART 4: ORGANIC LIQUID-SOLID INTERFACES ; 12. Structural and Dynamic Properties of Hexadecane Lubricants under Shear Flow in a Confined Geometry ; 13. Complete Spreading of Liquid Droplets on Heterogenous Substrates: Simulations and Experiments ; INDEXES ; Author Index ; Subject Index