Author: Publisher:
ISBN: 9788794494465
Category :
Languages : en
Pages : 0
Book Description
The electrochemical interface at the atomic-scale
Atomic-Scale Modelling of Electrochemical Systems
Author: Marko M. MelanderPublisher: John Wiley & Sons
ISBN: 1119605636
Category : Science
Languages : en
Pages : 372
Book Description
Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemical double-layer using molecular dynamics and/or continuum descriptions. A thermodynamic description of the interface and reactions taking place at the interface as a function of the electrode potential is provided, as are novel ways to describe rates of heterogeneous electron transfer, proton-coupled electron transfer, and other electrocatalytic reactions. The book also covers multiscale modelling, where atomic level information is used for predicting experimental observables to enable direct comparison with experiments, to rationalize experimental results, and to predict the following electrochemical performance. Uniquely explains how to understand, predict, and optimize the properties and reactivity of electrochemical interfaces starting from the atomic scale Uses an engaging “tutorial style” presentation, highlighting a solid physicochemical background, computational implementation, and applications for different methods, including merits and limitations Bridges the gap between experimental electrochemistry and computational atomistic modelling Written by a team of experts within the field of computational electrochemistry and the wider computational condensed matter community, this book serves as an introduction to the subject for readers entering the field of atom-level electrochemical modeling, while also serving as an invaluable reference for advanced practitioners already working in the field.
Modeling Electrochemical Energy Storage at the Atomic Scale
Author: Martin KorthPublisher: Springer
ISBN: 3030005933
Category : Science
Languages : en
Pages : 151
Book Description
The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. The chapters “Assessment of Simple Models for Molecular Simulation of Ethylene Carbonate and Propylene Carbonate as Solvents for Electrolyte Solutions” and “Elucidating Solvation Structures for Rational Design of Multivalent Electrolytes—A Review” are available open access under a CC BY 4.0 License via link.springer.com.
Atomic-scale modelling of electro-catalytic surfaces and dynamic electrochemical interfaces
Author: Solid-liquid Electrochemical Interfaces
Author: Gregory JerkiewiczPublisher:
ISBN:
Category : Science
Languages : en
Pages : 378
Book Description
The wide scope covered by the 23 papers makes the collection suitable as a survey of current developments in the subject, for specialists in electrochemical surface science, newcomers to the field, or scientists working in related disciplines. The topics include computer simulation of the structure and dynamics of water near metal surfaces, the growth kinetics of phosphate films on metal oxide surfaces, anion adsorption and charge transfer on single-crystal electrodes, an electrochemical and in-situ scanning-probe microscopic study of electroactive polymers, and the temperature dependence of the growth of surface oxide films on rhodium electrodes. Annotation copyrighted by Book News, Inc., Portland, OR.
Interfacial Electrochemistry
Author: Wolfgang SchmicklerPublisher: Springer Science & Business Media
ISBN: 3642049370
Category : Science
Languages : en
Pages : 273
Book Description
Electrochemistry is an old branch of physical chemistry. Due to the development of surface sensitive techniques, and a technological interest in fuel cells and batteries, it has recently undergone a rapid development. This textbook treats the field from a modern, atomistic point of view while integrating the older, macroscopic concepts. The increasing role of theory is reflected in the presentation of the basic ideas in a way that should appeal to experimentalists and theorists alike. Special care is taken to make the subject comprehensible to scientists from neighboring disciplines, especially from surface science. The book is suitable for an advanced course at the master or Ph.D. level, but should also be useful for practicing electrochemists, as well as to any scientist who wants to understand modern electrochemistry.
Electrochemical Imaging
Author: Todd H. LewisPublisher: American Chemical Society
ISBN: 0841296413
Category : Science
Languages : en
Pages : 178
Book Description
ACS In Focus Electrochemical Imaging introduces some of the most exciting and important imaging techniques in electrochemistry. This digital primer, targeted at senior undergraduate students and first-year graduate students, demonstrates how electrochemical imaging has become increasingly important in enhancing our fundamental understanding of the electrode/solution interface. Chapter 1 introduces electrochemistry, the unique aspects of electrochemical reactions, and the key importance of electrochemical imaging. Chapter 2 focuses on array-based electrochemical imaging methods. Chapter 3 describes several electrochemical imaging methods based on small scanning probes. Chapter 4 introduces electrochemical imaging methods based on optical microscopies, such as fluorescence, dark field, and Raman spectroscopy. The last chapter is devoted to briefly discussing some imaging methods for examining the electrochemical interface with molecular and atomic scale resolution. It also reveals exciting ways of using in-situ methods, such as electron microscopies, to image electrochemical processes in situ.
Handbook of Electrochemistry
Author: Cynthia G. ZoskiPublisher: Elsevier
ISBN: 0444519580
Category : Science
Languages : en
Pages : 935
Book Description
Electrochemistry plays a key role in a broad range of research and applied areas including the exploration of new inorganic and organic compounds, biochemical and biological systems, corrosion, energy applications involving fuel cells and solar cells, and nanoscale investigations. The Handbook of Electrochemistry serves as a source of electrochemical information, providing details of experimental considerations, representative calculations, and illustrations of the possibilities available in electrochemical experimentation. The book is divided into five parts: Fundamentals, Laboratory Practical, Techniques, Applications, and Data. The first section covers the fundamentals of electrochemistry which are essential for everyone working in the field, presenting an overview of electrochemical conventions, terminology, fundamental equations, and electrochemical cells, experiments, literature, textbooks, and specialized books. Part 2 focuses on the different laboratory aspects of electrochemistry which is followed by a review of the various electrochemical techniques ranging from classical experiments to scanning electrochemical microscopy, electrogenerated chemiluminesence and spectroelectrochemistry. Applications of electrochemistry include electrode kinetic determinations, unique aspects of metal deposition, and electrochemistry in small places and at novel interfaces and these are detailed in Part 4. The remaining three chapters provide useful electrochemical data and information involving electrode potentials, diffusion coefficients, and methods used in measuring liquid junction potentials. * serves as a source of electrochemical information * includes useful electrochemical data and information involving electrode potentials, diffusion coefficients, and methods used in measuring liquid junction potentials * reviews electrochemical techniques (incl. scanning electrochemical microscopy, electrogenerated chemiluminesence and spectroelectrochemistry)
Electrochemical Nanotechnology
Author: Wolfgang J. LorenzPublisher: John Wiley & Sons
ISBN: 3527612149
Category : Science
Languages : en
Pages : 336
Book Description
A new window to local studies of interface phenomena at solid state surfaces has been opened by the development of local probe techniques such as Scanning Tunneling Microscopy (STM) or Atomic Force Microscopy (AFM) and related methods during the past fifteen years. The in-situ application of local probe methods in different systems belongs to modern nanotechnology and has two aspects: an analytical aspect and a preparative aspect. The first aspect covers the application of the local probe methods to characterize thermodynamic, structural and dynamic properties of solid state surfaces and interfaces and to investigate local surface reactions. Two methods which are still in the beginning of their development represent the second aspect: tip and cantilever. They can be used to form defined nano-objects such as molecular or atomic clusters, quantum dots etc. as well as to structure or modify solid state surfaces in the nanometer range. This IUPAC monograph is a comprehensive treatment of both aspects and presents the current state of knowledge. It is written for scientists active in the area of nanotechnology.
The Handbook of Surface Imaging and Visualization
Author: Arthur T. HubbardPublisher: CRC Press
ISBN: 100071490X
Category : Computers
Languages : en
Pages : 928
Book Description
This exciting new handbook investigates the characterization of surfaces. It emphasizes experimental techniques for imaging of solid surfaces and theoretical strategies for visualization of surfaces, areas in which rapid progress is currently being made. This comprehensive, unique volume is the ideal reference for researchers needing quick access to the latest developments in the field and an excellent introduction to students who want to acquaint themselves with the behavior of electrons, atoms, molecules, and thin-films at surfaces. It's all here, under one cover! The Handbook of Surface Imaging and Visualization is filled with sixty-four of the most powerful techniques for characterization of surfaces and interfaces in the material sciences, medicine, biology, geology, chemistry, and physics. Each discussion is easy to understand, succinct, yet incredibly informative. Data illustrate present research in each area of study. A wide variety of the latest experimental and theoretical approaches are included with both practical and fundamental objectives in mind. Key references are included for the reader's convenience for locating the most recent and useful work on each topic. Readers are encouraged to contact the authors or consult the references for additional information. This is the best ready reference available today. It is a perfect source book or supplemental text on the subject.