Atomic Scale Modelling Of Electrochemical Systems

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Atomic-Scale Modelling of Electrochemical Systems

Author : Marko M. Melander
Publisher : John Wiley & Sons
ISBN 13 : 1119605636
Total Pages : 372 pages
Book Rating : 4.1/5 (196 download)

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Book Synopsis Atomic-Scale Modelling of Electrochemical Systems by : Marko M. Melander

Download or read book Atomic-Scale Modelling of Electrochemical Systems written by Marko M. Melander and published by John Wiley & Sons. This book was released on 2021-09-09 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Computational Electrochemistry

Author : S. Paddison
Publisher : The Electrochemical Society
ISBN 13 : 1607686511
Total Pages : 49 pages
Book Rating : 4.6/5 (76 download)

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Book Synopsis Computational Electrochemistry by : S. Paddison

Download or read book Computational Electrochemistry written by S. Paddison and published by The Electrochemical Society. This book was released on 2015-12-28 with total page 49 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Electrocatalysis

Author : Richard C. Alkire
Publisher : John Wiley & Sons
ISBN 13 : 3527680454
Total Pages : 315 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Electrocatalysis by : Richard C. Alkire

Download or read book Electrocatalysis written by Richard C. Alkire and published by John Wiley & Sons. This book was released on 2013-12-16 with total page 315 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysts speed up a chemical reaction or allow for reactions to take place that would not otherwise occur. The chemical nature of a catalyst and its structure are crucial for interactions with reaction intermediates. An electrocatalyst is used in an electrochemical reaction, for example in a fuel cell to produce electricity. In this case, reaction rates are also dependent on the electrode potential and the structure of the electrical double-layer. This work provides a valuable overview of this rapidly developing field by focusing on the aspects that drive the research of today and tomorrow. Key topics are discussed by leading experts, making this book a must-have for many scientists of the field with backgrounds in different disciplines, including chemistry, physics, biochemistry, engineering as well as surface and materials science. This book is volume XIV in the series "Advances in Electrochemical Sciences and Engineering".

Nanoscale Electrochemistry

Author : Andrew J. Wain
Publisher : Elsevier
ISBN 13 : 0128200561
Total Pages : 580 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Nanoscale Electrochemistry by : Andrew J. Wain

Download or read book Nanoscale Electrochemistry written by Andrew J. Wain and published by Elsevier. This book was released on 2021-09-14 with total page 580 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoscale Electrochemistry focuses on challenges and advances in electrochemical nanoscience at solid–liquid interfaces, highlighting the most prominent developments of the last decade. Nanotechnology has had a tremendous effect on the multidisciplinary field of electrochemistry, yielding new fundamental insights that have broadened our understanding of interfacial processes and stimulating new and diverse applications. The book begins with a tutorial chapter to introduce the principles of nanoscale electrochemical systems and emphasize their unique behavior compared with their macro/microscopic counterparts. Building on this, the following three chapters present analytical applications, such as sensing and electrochemical imaging, that are familiar to the traditional electrochemist but whose extension to the nanoscale is nontrivial and reveals new chemical information. The subsequent three chapters present exciting new electrochemical methodologies that are specific to the nanoscale, including "single entity"-based methods and surface-enhanced electrochemical spectroscopy. These techniques, now sufficiently mature for exposition, have paved the way for major developments in our understanding of solid–liquid interfaces and continue to push electrochemical analysis toward atomic-length scales. The final three chapters address the rich overlap between electrochemistry and nanomaterials science, highlighting notable applications in energy conversion and storage. This is an important reference for both academic and industrial researchers who are seeking to learn more about how nanoscale electrochemistry has developed in recent years. Outlines the major applications of nanoscale electrochemistry in energy storage, spectroscopy and biology Summarizes the major principles of nanoscale electrochemical systems, exploring how they differ from similar system types Discusses the major challenges of electrochemical analysis at the nanoscale

The electrochemical interface at the atomic-scale

Author :
Publisher :
ISBN 13 : 9788794494465
Total Pages : 0 pages
Book Rating : 4.4/5 (944 download)

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Book Synopsis The electrochemical interface at the atomic-scale by :

Download or read book The electrochemical interface at the atomic-scale written by and published by . This book was released on with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Handbook of Electrochemistry

Author : Cynthia G. Zoski
Publisher : Elsevier
ISBN 13 : 0444519580
Total Pages : 935 pages
Book Rating : 4.4/5 (445 download)

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Book Synopsis Handbook of Electrochemistry by : Cynthia G. Zoski

Download or read book Handbook of Electrochemistry written by Cynthia G. Zoski and published by Elsevier. This book was released on 2007-02-07 with total page 935 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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)

Atomic Scale Studies in Electrochemical Phase Formation

Author : Ryan Mark Stephens
Publisher :
ISBN 13 :
Total Pages : 156 pages
Book Rating : 4.:/5 (689 download)

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Book Synopsis Atomic Scale Studies in Electrochemical Phase Formation by : Ryan Mark Stephens

Download or read book Atomic Scale Studies in Electrochemical Phase Formation written by Ryan Mark Stephens and published by . This book was released on 2005 with total page 156 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Part 1: Molten Salts and Ionic Liquids

Author : Rudolf Holze
Publisher : Springer
ISBN 13 : 9783642027222
Total Pages : 0 pages
Book Rating : 4.0/5 (272 download)

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Book Synopsis Part 1: Molten Salts and Ionic Liquids by : Rudolf Holze

Download or read book Part 1: Molten Salts and Ionic Liquids written by Rudolf Holze and published by Springer. This book was released on 2015-12-30 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electrochemistry is the basis of many important and modern applications and scientific developments such as nanoscale machining, electrochemistry at the atomic scale, scanning tunneling microscopy, transformation of energy in biological cells, selective electrodes for the determination of ions, and new kinds of electrochemical cells, batteries and fuel cells.The present subvolume contains the related relevant data together with a precise description of the phenomena.

Atomic Switch

Author : Masakazu Aono
Publisher : Springer Nature
ISBN 13 : 303034875X
Total Pages : 270 pages
Book Rating : 4.0/5 (33 download)

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Book Synopsis Atomic Switch by : Masakazu Aono

Download or read book Atomic Switch written by Masakazu Aono and published by Springer Nature. This book was released on 2020-03-02 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by the inventors and leading experts of this new field, the book results from the International Symposium on “Atomic Switch: Invention, Practical use and Future Prospects” which took place in Tsukuba, Japan on March 27th - 28th, 2017. The book chapters cover the different trends from the science and technology of atomic switches to their applications like brain-type information processing, artificial intelligence (AI) and completely novel functional electronic nanodevices. The current practical uses of the atomic switch are also described. As compared with the conventional semiconductor transistor switch, the atomic switch is more compact (~1/10) with much lower power consumption (~1/10) and scarcely influenced by strong electromagnetic noise and radiation including cosmic rays in space (~1/100). As such, this book is of interest to researchers, scholars and students willing to explore new materials, to refine the nanofabrication methods and to explore new and efficient device architectures.

Multi-Scale Modeling of Mechanical and Electrochemical Properties of 1D and 2D Nanomaterials, Application in Battery Energy Storage Systems

Download Multi-Scale Modeling of Mechanical and Electrochemical Properties of 1D and 2D Nanomaterials, Application in Battery Energy Storage Systems PDF Online Free

Author : Mohammad Salavati
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (119 download)

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Book Synopsis Multi-Scale Modeling of Mechanical and Electrochemical Properties of 1D and 2D Nanomaterials, Application in Battery Energy Storage Systems by : Mohammad Salavati

Download or read book Multi-Scale Modeling of Mechanical and Electrochemical Properties of 1D and 2D Nanomaterials, Application in Battery Energy Storage Systems written by Mohammad Salavati and published by . This book was released on 2020 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Material properties play a critical role in durable products manufacturing. Estimation of the precise characteristics in different scales requires complex and expensive experimental measurements. Potentially, computational methods can provide a platform to determine the fundamental properties before the final experiment. Multi-scale computational modeling leads to the modeling of the various time, and length scales include nano, micro, meso, and macro scales. These scales can be modeled separately or in correlation with coarser scales. Depend on the interested scales modeling, the right selection of multi-scale methods leads to reliable results and affordable computational cost. The present dissertation deals with the problems in various length and time scales using computational methods include density functional theory (DFT), molecular mechanics (MM), molecular dynamics (MD), and finite element (FE) methods. Physical and chemical interactions in lower scales determine the coarser scale properties. Particles interaction modeling and exploring fundamental properties are significant challenges of computational science. Downscale modelings need more computational effort due to a large number of interacted atoms/particles. To deal with this problem and bring up a fine-scale (nano) as a coarse-scale (macro) problem, we extended an atomic-continuum framework. The discrete atomic models solve as a continuum problem using the computationally efficient FE method. MM or force field method based on a set of assumptions approximates a solution on the atomic scale. In this method, atoms and bonds model as a harmonic oscillator with a system of mass and springs. The negative gradient of the potential energy equal to the forces on each atom. In this way, each bond's total potential energy includes bonded, and non-bonded energies are simulated as equivalent structural strain energies. Finally, the chemical nature of the atomic bond is modeled as a piezoelectric beam element that solves by the FE method. ...

Nanocarbon Electrochemistry

Author : Nianjun Yang
Publisher : John Wiley & Sons
ISBN 13 : 1119468302
Total Pages : 384 pages
Book Rating : 4.1/5 (194 download)

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Book Synopsis Nanocarbon Electrochemistry by : Nianjun Yang

Download or read book Nanocarbon Electrochemistry written by Nianjun Yang and published by John Wiley & Sons. This book was released on 2019-11-14 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides a comprehensive introduction to the field of nanocarbon electrochemistry The discoveries of new carbon materials such as fullerene, graphene, carbon nanotubes, graphene nanoribbon, carbon dots, and graphdiyne have triggered numerous research advances in the field of electrochemistry. This book brings together up-to-date accounts of the recent progress, developments, and achievements in the electrochemistry of different carbon materials, focusing on their unique properties and various applications. Nanocarbon Electrochemistry begins by looking at the studies of heterogeneous electron transfer at various carbon electrodes when redox-active molecules are reversibly and specifically adsorbed on the carbon electrode surface. It then covers electrochemical energy storage applications of various carbon materials, particularly the construction and performance of supercapacitors and batteries by use of graphene and related materials. Next, it concentrates on electrochemical energy conversion applications where electrocatalysis at 0D, 1D, 2D, and 3D carbon materials nanocarbon materials is highlighted. The book finishes with an examination of the contents of electrogenerated chemiluminescence and photoelectrochemical pollutant degradation by use of diamond and related carbon materials. Covers the fundamental properties of different carbon materials and their applications across a wide range of areas Provides sufficient background regarding different applications, which contributes to the understanding of specialists and non-specialists Examines nanoelectrochemistry of adsorption-coupled electron transfer at carbon electrodes; graphene and graphene related materials; diamond electrodes for the electrogenerated chemiluminescence; and more Features contributions from an international team of distinguished researchers Nanocarbon Electrochemistry is an ideal book for students, researchers, and industrial partners working on many diverse fields of electrochemistry, whether they already make frequent use of carbon electrodes in one form of another or are looking at electrodes for new applications.

Interfacial Electrochemistry

Author : Wolfgang Schmickler
Publisher : Springer Science & Business Media
ISBN 13 : 3642049370
Total Pages : 273 pages
Book Rating : 4.6/5 (42 download)

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Book Synopsis Interfacial Electrochemistry by : Wolfgang Schmickler

Download or read book Interfacial Electrochemistry written by Wolfgang Schmickler and published by Springer Science & Business Media. This book was released on 2010-08-26 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 Methods

Author : Allen J. Bard
Publisher : Wiley Global Education
ISBN 13 : 1118312805
Total Pages : 862 pages
Book Rating : 4.1/5 (183 download)

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Book Synopsis Electrochemical Methods by : Allen J. Bard

Download or read book Electrochemical Methods written by Allen J. Bard and published by Wiley Global Education. This book was released on 2012-04-13 with total page 862 pages. Available in PDF, EPUB and Kindle. Book excerpt: Das führende Werk auf seinem Gebiet - jetzt durchgängig auf den neuesten Stand gebracht! Die theoretischen Grundlagen der Elektrochemie, erweitert um die aktuellsten Erkenntnisse in der Theorie des Elektronentransfers, werden hier ebenso besprochen wie alle wichtigen Anwendungen, darunter modernste Verfahren (Ultramikroelektroden, modifizierte Elektroden, LCEC, Impedanzspektrometrie, neue Varianten der Pulsvoltammetrie und andere). In erster Linie als Lehrbuch gedacht, läßt sich das Werk aber auch hervorragend zum Selbststudium und zur Auffrischung des Wissensstandes verwenden. Lediglich elementare Grundkenntnisse der physikalischen Chemie werden vorausgesetzt.

Theoretical Modelling of Transition Metal Oxide Compounds for Application in Electronic and Electrochemical Systems

Author : Patrick Conlin
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (141 download)

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Book Synopsis Theoretical Modelling of Transition Metal Oxide Compounds for Application in Electronic and Electrochemical Systems by : Patrick Conlin

Download or read book Theoretical Modelling of Transition Metal Oxide Compounds for Application in Electronic and Electrochemical Systems written by Patrick Conlin and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density functional theory (DFT) is the predominant methodology for predictive theoretical calculation of material properties used today. It is extensively applied in solid-state physics, chemistry, and materials science to model a wide range of systems on the atomic scale. The popularity of DFT is due in large part to the high-degree of accuracy provided by the methodology, coupled with a relatively low computational cost compared to alternatives like all-electron models. While DFT has been very successful at predicting diverse sets of material properties, there are crucial areas where DFT remains deficient. One of the most notable of these deficiencies is the inability of DFT to accurately describe transition metal compounds. Transition metal compounds are a huge material space with many technological applications. A comprehensive understanding of the physics underlying commonly used computational methods is required in order to best to correct these methods for a given class of compounds. This work begins with a survey of available methodologies for modelling transition metal oxides. Subsequent sections detail the properties of compounds investigated for specific technological application. Particular attention is given to high-mobility p-type semiconductors, solid-electrolytes for Li-ion batteries, and properties of amorphous phases.

Tutorials in Electrochemical Engineering--mathematical Modeling

Author : Robert F. Savinell
Publisher : The Electrochemical Society
ISBN 13 : 9781566772365
Total Pages : 320 pages
Book Rating : 4.7/5 (723 download)

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Book Synopsis Tutorials in Electrochemical Engineering--mathematical Modeling by : Robert F. Savinell

Download or read book Tutorials in Electrochemical Engineering--mathematical Modeling written by Robert F. Savinell and published by The Electrochemical Society. This book was released on 1999 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Interfacial Electrochemistry

Author : Andrzej Wieckowski
Publisher : Routledge
ISBN 13 : 1351437577
Total Pages : 992 pages
Book Rating : 4.3/5 (514 download)

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Book Synopsis Interfacial Electrochemistry by : Andrzej Wieckowski

Download or read book Interfacial Electrochemistry written by Andrzej Wieckowski and published by Routledge. This book was released on 2017-11-22 with total page 992 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text probes topics and reviews progress in interfacial electrochemistry. It supplies chapter abstracts to give readers a concise overview of individual subjects and there are more than 1500 drawings, photographs, micrographs, tables and equations. The 118 contributors are international scholars who present theory, experimentation and applications.

Solid-liquid Electrochemical Interfaces

Author : Gregory Jerkiewicz
Publisher :
ISBN 13 :
Total Pages : 378 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Solid-liquid Electrochemical Interfaces by : Gregory Jerkiewicz

Download or read book Solid-liquid Electrochemical Interfaces written by Gregory Jerkiewicz and published by . This book was released on 1997 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.