Presenting the fundamentals, key multiscale methods, and case studies for computational design of engineering materials.

Nanostructured Materials Engineering and Characterization for Battery Applications is designed to help solve fundamental and applied problems in the field of energy storage. Broken up into four separate sections, the book begins with a discussion of the fundamental electrochemical concepts in the field of energy storage. Other sections look at battery materials engineering such as cathodes, electrolytes, separators and anodes and review various battery characterization methods and their applications. The book concludes with a review of the practical considerations and applications of batteries.This will be a valuable reference source for university professors, researchers, undergraduate and postgraduate students, as well as scientists working primarily in the field of materials science, applied chemistry, applied physics and nanotechnology. - Presents practical consideration for battery usage such as LCA, recycling and green batteries - Covers battery characterization techniques including electrochemical methods, microscopy, spectroscopy and X-ray methods - Explores battery models and computational materials design theories

This work gives a comprehensive overview on materials, processes and technological challenges for electrochemical storage and conversion of energy. Optimization and development of electrochemical cells requires consideration of the cell as a whole, taking into account the complex interplay of all individual components. Considering the availability of resources, their environmental impact and requirements for recycling, the design of new concepts has to be based on the understanding of relevant processes at an atomic level.

The Handbook of Lithium-Ion Battery Pack Design: Chemistry, Components, Types and Terminology,?Second Edition provides a clear and concise explanation of EV and Li-ion batteries for readers that are new to the field. The second edition expands and updates all topics covered in the original book, adding more details to all existing chapters and including major updates to align with all of the rapid changes the industry has experienced over the past few years. This handbook offers a layman's explanation of the history of vehicle electrification and battery technology, describing the various terminology and acronyms and explaining how to do simple calculations that can be used in determining basic battery sizing, capacity, voltage, and energy. By the end of this book the reader will have a solid understanding of the terminology around Li-ion batteries and be able to undertake simple battery calculations. The book is immensely useful to beginning and experienced engineers alike who are moving into the battery field. Li-ion batteries are one of the most unique systems in automobiles today in that they combine multiple engineering disciplines, yet most engineering programs focus on only a single engineering field. This book provides the reader with a reference to the history, terminology and design criteria needed to understand the Li-ion battery and to successfully lay out a new battery concept. Whether you are an electrical engineer, a mechanical engineer or a chemist, this book will help you better appreciate the inter-relationships between the various battery engineering fields that are required to understand the battery as an Energy Storage System. It gives great insights for readers ranging from engineers to sales, marketing, management, leadership, investors, and government officials. - Adds a brief history of battery technology and its evolution to current technologies? - Expands and updates the chemistry to include the latest types - Discusses thermal runaway and cascading failure mitigation technologies? - Expands and updates the descriptions of the battery module and pack components and systems?? - Adds description of the manufacturing processes for cells, modules, and packs? - Introduces and discusses new topics such as battery-as-a-service, cell to pack and cell to chassis designs, and wireless BMS?

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.

The quest for efficient and durable battery technologies is one of the key challenges for enabling the transition to renewable energy economies. Magnesium batteries, and in particular rechargeable non-aqueous systems, are an area of extensive opportunity and intense research. Rechargeable magnesium batteries hold numerous advantages over current lithium-ion batteries, namely the relative abundance of magnesium to lithium and the potential for magnesium batteries to greatly outperform their Li-ion counterparts. Magnesium Batteries comprehensively outlines the scientific and technical challenges in the field, covering anodes, cathodes, electrolytes and particularly promising systems such as the Mg–S cell. Edited by a leading figure in the field of electrochemical energy storage, with contributions from global experts, this book is a vital resource for students and researchers at all levels. Whether entering into the subject for the first time or extending their knowledge of battery materials across chemistry, physics, energy, engineering and materials science this book provides an ideal reference for anyone interested in the state-of-the-art and future of magnesium batteries.

A guide to the fundamental chemistry and recent advances of battery materials In one comprehensive volume, Inorganic Battery Materials explores the basic chemistry principles, recent advances, and the challenges and opportunities of the current and emerging technologies of battery materials. With contributions from an international panel of experts, this authoritative resource contains information on the fundamental features of battery materials, discussions on material synthesis, structural characterizations and electrochemical reactions. The book explores a wide range of topics including the state-of-the-art lithium ion battery chemistry to more energy-aggressive chemistries involving lithium metal. The authors also include a review of sulfur and oxygen, aqueous battery chemistry, redox flow battery chemistry, solid state battery chemistry and environmentally beneficial carbon dioxide battery chemistry. In the context of renewable energy utilization and transportation electrification, battery technologies have been under more extensive and intensive development than ever. This important book: Provides an understanding of the chemistry of a battery technology Explores battery technology's potential as well as the obstacles that hamper the potential from being realized Highlights new applications and points out the potential growth areas that can serve as inspirations for future research Includes an understanding of the chemistry of battery materials and how they store and convert energy Written for students and academics in the fields of energy materials, electrochemistry, solid state chemistry, inorganic materials chemistry and materials science, Inorganic Battery Materials focuses on the inorganic chemistry of battery materials associated with both current and future battery technologies to provide a unique reference in the field. About EIBC Books The Encyclopedia of Inorganic and Bioinorganic Chemistry (EIBC) was created as an online reference in 2012 by merging the Encyclopedia of Inorganic Chemistry and the Handbook of Metalloproteins. The resulting combination proves to be the defining reference work in the field of inorganic and bioinorganic chemistry, and a lot of chemistry libraries around the world have access to the online version. Many readers, however, prefer to have more concise thematic volumes in print, targeted to their specific area of interest. This feedback from EIBC readers has encouraged the Editors to plan a series of EIBC Books [formerly called EIC Books], focusing on topics of current interest. EIBC Books will appear on a regular basis, will be edited by the EIBC Editors and specialist Guest Editors, and will feature articles from leading scholars in their fields. EIBC Books aim to provide both the starting research student and the confirmed research worker with a critical distillation of the leading concepts in inorganic and bioinorganic chemistry, and provide a structured entry into the fields covered.

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This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.