Atomic-Scale Modelling of Electrochemical Systems

Atomic-Scale Modelling of Electrochemical Systems

Author: Marko M. Melander

Publisher: John Wiley & Sons

Published: 2021-09-09

Total Pages: 372

ISBN-13: 1119605636

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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.


Electrochemical Methods in Archaeometry, Conservation and Restoration

Electrochemical Methods in Archaeometry, Conservation and Restoration

Author: Antonio Doménech-Carbó

Publisher: Springer Science & Business Media

Published: 2009-04-15

Total Pages: 177

ISBN-13: 3540928685

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Electrochemistry plays an important role in preserving our cultural heritage. For the first time this has been documented in the present volume. Coverage includes both electrochemical processes such as corrosion and electroanalytical techniques allowing to analyse micro- and nanosamples from works of art or archaeological finds. While this volume is primarily aimed at electrochemists and analytical chemists, it also contains relevant information for conservators, restorers, and archaeologists.


Electrode Materials for Energy Storage and Conversion

Electrode Materials for Energy Storage and Conversion

Author: Mesfin A. Kebede

Publisher: CRC Press

Published: 2021-11-17

Total Pages: 518

ISBN-13: 1000457869

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This book provides a comprehensive overview of the latest developments and materials used in electrochemical energy storage and conversion devices, including lithium-ion batteries, sodium-ion batteries, zinc-ion batteries, supercapacitors and conversion materials for solar and fuel cells. Chapters introduce the technologies behind each material, in addition to the fundamental principles of the devices, and their wider impact and contribution to the field. This book will be an ideal reference for researchers and individuals working in industries based on energy storage and conversion technologies across physics, chemistry and engineering. FEATURES Edited by established authorities, with chapter contributions from subject-area specialists Provides a comprehensive review of the field Up to date with the latest developments and research Editors Dr. Mesfin A. Kebede obtained his PhD in Metallurgical Engineering from Inha University, South Korea. He is now a principal research scientist at Energy Centre of Council for Scientific and Industrial Research (CSIR), South Africa. He was previously an assistant professor in the Department of Applied Physics and Materials Science at Hawassa University, Ethiopia. His extensive research experience covers the use of electrode materials for energy storage and energy conversion. Prof. Fabian I. Ezema is a professor at the University of Nigeria, Nsukka. He obtained his PhD in Physics and Astronomy from University of Nigeria, Nsukka. His research focuses on several areas of materials science with an emphasis on energy applications, specifically electrode materials for energy conversion and storage.


Solar Power And Fuels

Solar Power And Fuels

Author: James R. Bolton

Publisher: Elsevier

Published: 2012-12-02

Total Pages: 271

ISBN-13: 0323158420

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Solar Power and Fuels presents the proceedings of the First International Conference on the Photochemical Conversion and Storage of Solar Energy, held at the University of Western Ontario on August 24–28, 1976. This book explores the various possibilities for the photochemical conversion and storage of solar energy. Organized into eight chapters, this compilation of papers begins with an overview of the chemical utilization of solar energy through systems in which the quanta of radiation from the sun are utilized in atomic or molecular systems that undergo chemical changes. This text then examines the various ways in which biological/solar systems could be realized to varying degrees over the short and long term. Other chapters consider the electron-transfer processes in which excited states of molecules react with molecules. This book discusses as well the systems where the photochemical reaction occurs in the electrolyte. The final chapter deals with the intermittent availability of solar radiation. This book is a valuable resource for photochemists, photobiologists, and scientists.


Electrochemical Dictionary

Electrochemical Dictionary

Author: Allen J. Bard

Publisher: Springer Science & Business Media

Published: 2012-10-02

Total Pages: 994

ISBN-13: 3642295517

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This second edition of the highly successful dictionary offers more than 300 new or revised terms. A distinguished panel of electrochemists provides up-to-date, broad and authoritative coverage of 3000 terms most used in electrochemistry and energy research as well as related fields, including relevant areas of physics and engineering. Each entry supplies a clear and precise explanation of the term and provides references to the most useful reviews, books and original papers to enable readers to pursue a deeper understanding if so desired. Almost 600 figures and illustrations elaborate the textual definitions. The “Electrochemical Dictionary” also contains biographical entries of people who have substantially contributed to electrochemistry. From reviews of the first edition: ‘the creators of the Electrochemical Dictionary have done a laudable job to ensure that each definition included here has been defined in precise terms in a clear and readily accessible style’ (The Electric Review) ‘It is a must for any scientific library, and a personal purchase can be strongly suggested to anybody interested in electrochemistry’ (Journal of Solid State Electrochemistry) ‘The text is readable, intelligible and very well written’ (Reference Reviews)


Radiation Synthesis of Materials and Compounds

Radiation Synthesis of Materials and Compounds

Author: Boris Ildusovich Kharisov

Publisher: CRC Press

Published: 2013-02-06

Total Pages: 589

ISBN-13: 1466505222

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Researchers and engineers working in nuclear laboratories, nuclear electric plants, and elsewhere in the radiochemical industries need a comprehensive handbook describing all possible radiation-chemistry interactions between irradiation and materials, the preparation of materials under distinct radiation types, the possibility of damage of materials under irradiation, and more. Radiation nanotechnology is still practically an undeveloped field, except for some achievements in the fabrication of metallic nanoparticles under ionizing flows. Radiation Synthesis of Materials and Compounds presents the state of the art of the synthesis of materials, composites, and chemical compounds, and describes methods based on the use of ionizing radiation. It is devoted to the preparation of various types of materials (including nanomaterials) and chemical compounds using ionizing radiation (alpha particles, beta particles, gamma rays, x-rays, and neutron, proton, and ion beams). The book presents contributions from leaders in the areas of radiation synthesis of materials and radiation damage, providing thorough and expert information for a wide range of readers, including advanced students, researchers, industrial practitioners, and university educators.