Atomic-Scale Modelling of Electrochemical Systems PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Atomic-Scale Modelling of Electrochemical Systems PDF full book. Access full book title Atomic-Scale Modelling of Electrochemical Systems by Marko M. Melander. Download full books in PDF and EPUB format.
Author: Marko M. Melander Publisher: John Wiley & Sons ISBN: 111960561X 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.
Author: Marko M. Melander Publisher: 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.
Author: Allen J. Bard Publisher: CRC Press ISBN: 1000584054 Category : Science Languages : en Pages : 619
Book Description
Because of its simplicity of use and quantitative results, Scanning Electrochemical Microscopy (SECM) has become an indispensable tool for the study of surface reactivity. The fast expansion of the SECM field over several years has been fueled by the introduction of new probes, commercially available instrumentation, and new practical applications. Scanning Electrochemical Microscopy, Third Edition offers essential background and in-depth overviews of specific applications in self-contained chapters. The vitality and growing popularity of SECM over the past 30+ years have largely been determined by its versatility and capability to remain useful in the changing scientific and technological environments. New applications reported during the last decade reflect significant current activity in biomedical and energy-related research. This thoroughly updated edition provides up-to-date comprehensive reviews of different aspects of SECM. New chapters by renowned professionals in the field cover recent advances in different areas of SECM including nanoSECM, surface reactions and films, batteries, and fuel cells. Expanded coverage of electrocatalysis and surface interrogation as well as photoelectrochemistry and photoelectrocatalysis are also provided. Useful for a broad range of interdisciplinary research—from biological systems to nanopatterning—this book is invaluable to all interested in learning and applying SECM.
Author: Allen J. Bard Publisher: CRC Press ISBN: 9780203910771 Category : Science Languages : en Pages : 668
Book Description
Scanning Electrochemical Microscopy describes the theory and operating principles of scanning electrochemical microscopy (SECM), including instrumentation, tip preparation, imaging techniques and potentiometric probes. The book explores applications relevant to electron transfer reactions, reaction kinetics, chemical events at interfaces, biologica
Author: Michael V. Mirkin Publisher: CRC Press ISBN: 146656122X Category : Science Languages : en Pages : 852
Book Description
Nanoscale electrochemistry has revolutionized electrochemical research and technologies and has impacted other fields, including nanotechnology and nanoscience, biology, and materials chemistry. This book examines well-established concepts and principles and provides an updated overview of the field and its applications. The first two chapters contain theoretical background, specifically, theories of electron transfer, transport, and double-layer processes at nanoscale electrochemical interfaces. The next chapters examine the electrochemical studies of nanomaterials and nanosystems, as well as the applications of nanoelectrochemical techniques. Each chapter can be read independently, providing readers with a compact, up-to-date review of th
Author: Publisher: Elsevier ISBN: 0128098945 Category : Science Languages : en Pages : 5276
Book Description
Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Seven Volume Set summarizes current, fundamental knowledge of interfacial chemistry, bringing readers the latest developments in the field. As the chemical and physical properties and processes at solid and liquid interfaces are the scientific basis of so many technologies which enhance our lives and create new opportunities, its important to highlight how these technologies enable the design and optimization of functional materials for heterogeneous and electro-catalysts in food production, pollution control, energy conversion and storage, medical applications requiring biocompatibility, drug delivery, and more. This book provides an interdisciplinary view that lies at the intersection of these fields. Presents fundamental knowledge of interfacial chemistry, surface science and electrochemistry and provides cutting-edge research from academics and practitioners across various fields and global regions
Author: Renato Seeber Publisher: Springer ISBN: 3662451034 Category : Science Languages : en Pages : 235
Book Description
Amperometric sensors, biosensors included, particularly rely on suitable electrode materials. Progress in material science has led to a wide variety of options that are available today. For the first time, these novel functional electrode coating materials are reviewed in this monograph, written by and for electroanalytical chemists. This includes intrinsically conducting, redox and ion-exchange polymers, metal and carbon nanostructures, silica based materials. Monolayers and relatively thick films are considered. The authors critically discuss preparation methods, in addition to chemical and physical characteristics of these new materials. They present various examples of emerging applications in electroanalysis. Due to its comprehensive coverage, the book will become an indispensable source for researchers working on the development and even proper use of new amperometric sensor systems.
Author: Mathieu Etienne Publisher: Royal Society of Chemistry ISBN: 1849734011 Category : Reference Languages : en Pages : 245
Book Description
Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.
Author: George W. Gokel Publisher: Elsevier ISBN: 0128031999 Category : Science Languages : en Pages : 4627
Book Description
Comprehensive Supramolecular Chemistry II, Second Edition, Nine Volume Set is a ‘one-stop shop’ that covers supramolecular chemistry, a field that originated from the work of researchers in organic, inorganic and physical chemistry, with some biological influence. The original edition was structured to reflect, in part, the origin of the field. However, in the past two decades, the field has changed a great deal as reflected in this new work that covers the general principles of supramolecular chemistry and molecular recognition, experimental and computational methods in supramolecular chemistry, supramolecular receptors, dynamic supramolecular chemistry, supramolecular engineering, crystallographic (engineered) assemblies, sensors, imaging agents, devices and the latest in nanotechnology. Each section begins with an introduction by an expert in the field, who offers an initial perspective on the development of the field. Each article begins with outlining basic concepts before moving on to more advanced material. Contains content that begins with the basics before moving on to more complex concepts, making it suitable for advanced undergraduates as well as academic researchers Focuses on application of the theory in practice, with particular focus on areas that have gained increasing importance in the 21st century, including nanomedicine, nanotechnology and medicinal chemistry Fully rewritten to make a completely up-to-date reference work that covers all the major advances that have taken place since the First Edition published in 1996
Author: Joseph Wang Publisher: John Wiley & Sons ISBN: 0471460796 Category : Science Languages : en Pages : 228
Book Description
The critically acclaimed guide to the principles, techniques, and instruments of electroanalytical chemistry-now expanded and revised Joseph Wang, internationally renowned authority on electroanalytical techniques, thoroughly revises his acclaimed book to reflect the rapid growth the field has experienced in recent years. He substantially expands the theoretical discussion while providing comprehensive coverage of the latest advances through late 1999, introducing such exciting new topics as self-assembled monolayers, DNA biosensors, lab-on-a-chip, detection for capillary electrophoresis, single molecule detection, and sol-gel surface modification. Along with numerous references from the current literature and new worked-out examples, Analytical Electrochemistry, Second Edition offers clear, reader-friendly explanations of the fundamental principles of electrochemical processes as well as important insight into the potential of electroanalysis for problem solving in a wide range of fields, from clinical diagnostics to environmental science. Key topics include: The basics of electrode reactions and the structure of the interfacial region Tools for elucidating electrode reactions and high-resolution surface characterization An overview of finite-current controlled potential techniques Electrochemical instrumentation and electrode materials Principles of potentiometric measurements and ion-selective electrodes Chemical sensors, including biosensors, gas sensors, solid-state devices, and sensor arrays
Author: György Inzelt Publisher: Springer Science & Business Media ISBN: 3540759301 Category : Science Languages : en Pages : 282
Book Description
This book is a systematic survey of the knowledge accumulated in this field in the last thirty years. It includes material on the thermodynamic aspects of the polymers, the theory of the mechanism of charge transport processes, and the chemical and physical properties of these compounds. Also covered are the techniques of characterization, the electrochemical methods of synthesis, and the application of these systems. Inzelt’s book is a must-read for electrochemists and others.
Author: Marko M. Melander
Author: Marko M. Melander
Author: Allen J. Bard
Author: Allen J. Bard
Author: Michael V. Mirkin
Author: 
Author: Renato Seeber
Author: Mathieu Etienne
Author: George W. Gokel
Author: Joseph Wang
Author: György Inzelt