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Modeling Electrochemical Energy Storage At The Atomic Scale
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Book Synopsis Modeling Electrochemical Energy Storage at the Atomic Scale by : Martin Korth
Download or read book Modeling Electrochemical Energy Storage at the Atomic Scale written by Martin Korth and published by Springer. This book was released on 2018-11-30 with total page 145 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
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 2021-09-14 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.
Book Synopsis Physical Multiscale Modeling and Numerical Simulation of Electrochemical Devices for Energy Conversion and Storage by : Alejandro A. Franco
Download or read book Physical Multiscale Modeling and Numerical Simulation of Electrochemical Devices for Energy Conversion and Storage written by Alejandro A. Franco and published by Springer. This book was released on 2015-11-12 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to review innovative physical multiscale modeling methods which numerically simulate the structure and properties of electrochemical devices for energy storage and conversion. Written by world-class experts in the field, it revisits concepts, methodologies and approaches connecting ab initio with micro-, meso- and macro-scale modeling of components and cells. It also discusses the major scientific challenges of this field, such as that of lithium-ion batteries. This book demonstrates how fuel cells and batteries can be brought together to take advantage of well-established multi-scale physical modeling methodologies to advance research in this area. This book also highlights promising capabilities of such approaches for inexpensive virtual experimentation. In recent years, electrochemical systems such as polymer electrolyte membrane fuel cells, solid oxide fuel cells, water electrolyzers, lithium-ion batteries and supercapacitors have attracted much attention due to their potential for clean energy conversion and as storage devices. This has resulted in tremendous technological progress, such as the development of new electrolytes and new engineering designs of electrode structures. However, these technologies do not yet possess all the necessary characteristics, especially in terms of cost and durability, to compete within the most attractive markets. Physical multiscale modeling approaches bridge the gap between materials’ atomistic and structural properties and the macroscopic behavior of a device. They play a crucial role in optimizing the materials and operation in real-life conditions, thereby enabling enhanced cell performance and durability at a reduced cost. This book provides a valuable resource for researchers, engineers and students interested in physical modelling, numerical simulation, electrochemistry and theoretical chemistry.
Book Synopsis Materials for Electrochemical Energy Conversion and Storage by : Arumugam Manthiram
Download or read book Materials for Electrochemical Energy Conversion and Storage written by Arumugam Manthiram and published by John Wiley & Sons. This book was released on 2012-03-28 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new volume covers the latest developments in the field of electrochemistry. It addresses a variety of topics including new materials development, materials synthesis, processing, characterization, property measurements, structure-property relationships, and device performance. A broader view of various electrochemical energy conversion devices make this book a critical read for scientists and engineers working in related fields. Papers from the symposium at the 102nd Annual Meeting of The American Ceramic Society, April 29-May 3, 2000, Missouri and the 103rd Annual Meeting, April 22-25, 2001, Indiana.
Book Synopsis Material and Composition Screening Approaches in Electrocatalysis and Battery Research by : Kai S. Exner
Download or read book Material and Composition Screening Approaches in Electrocatalysis and Battery Research written by Kai S. Exner and published by Frontiers Media SA. This book was released on 2021-07-08 with total page 133 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Spectroscopy by : Yukihiro Ozaki
Download or read book Molecular Spectroscopy written by Yukihiro Ozaki and published by John Wiley & Sons. This book was released on 2019-04-23 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uniquely creates a strong bridge between molecular spectroscopy and quantum chemistry This two-volume book consists of many reviews reporting new applications of quantum chemistry to molecular spectroscopy (Raman, infrared, near-infrared, terahertz, far-ultraviolet, etc.). It contains brief introductions to quantum chemistry for spectroscopists, and to the recent progress on molecular spectroscopy for quantum chemists. Molecular Spectroscopy: A Quantum Chemistry Approach examines the recent progress made in the field of molecular spectroscopy; the state of the art of quantum chemistry for molecular spectroscopy; and more. It offers multiple chapters covering the application of quantum chemistry to: visible absorption and fluorescence, Raman spectroscopy, infrared spectroscopy, near-infrared spectroscopy, terahertz spectroscopy, and far-ultraviolet spectroscopy. It presents readers with hydrogen bonding studies by vibrational spectroscopy and quantum chemistry, as well as vibrational spectroscopy and quantum chemistry studies on both biological systems and nano science. The book also looks at vibrational anharmonicity and overtones, and nonlinear and time-resolved spectroscopy. -Comprehensively covers existing and recent applications of quantum chemistry to molecular spectroscopy -Introduces the quantum chemistry for the field of spectroscopy and the advancements being made on molecular spectroscopy for quantum chemistry -Edited by world leading experts who have long standing, extensive experience and international standing in the field Molecular Spectroscopy: A Quantum Chemistry Approach is an ideal book for analytical chemists, theoretical chemists, chemists, biochemists, materials scientists, biologists, and physicists interested in the subject.
Book Synopsis Electrochemical Devices for Energy Storage Applications by : Mesfin A. Kebede
Download or read book Electrochemical Devices for Energy Storage Applications written by Mesfin A. Kebede and published by CRC Press. This book was released on 2019-12-11 with total page 267 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores a wide range of energy storage devices, such as a lithium ion battery, sodium ion battery, magnesium ion battery and supercapacitors. Providing a comprehensive review of the current field, it also discusses the history of these technologies and introduces next-generation rechargeable batteries and supercapacitors. This book will serve as a valuable reference for researchers working with energy storage technologies across the fields of physics, chemistry, and engineering. Features: • Edited by established authorities in the field, with chapter contributions from subject area specialists • Provides a comprehensive review of field • Up to date with the latest developments and research
Book Synopsis Hybrid Atomic-Scale Interface Design for Materials Functionality by : Ajit K. Roy
Download or read book Hybrid Atomic-Scale Interface Design for Materials Functionality written by Ajit K. Roy and published by Elsevier. This book was released on 2021-03-10 with total page 281 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hybrid Atomic-Scale Interface Design for Materials Functionality covers a broad range of atomistic, meso and macro scale computational methodologies, including multiphase (hybrid) materials constructs for tailoring structural, thermal and electrical properties. As future materials are expected to perform with increasing efficiency in complex and dynamic environments hybrid materials design, in contrast to monolithic concepts, they are a cost-effective alternative. Taking materials hybridization at smaller scale, even at atomic scale, offers exceedingly high-payoff opportunities for optimizing materials functionality at reduced material consumption and even reduced qualification costs (eliminates many costly component and system level qualification tests). Presents computational methodologies for materials hybridization and interface design at the atomic scale Covers materials interface design (atomic configuration), a key component to optimize and achieve performance metrics Helps readers with material selectivity and in the materials design phase of any product design
Book Synopsis Advanced X-ray Imaging of Electrochemical Energy Materials and Devices by : Jiajun Wang
Download or read book Advanced X-ray Imaging of Electrochemical Energy Materials and Devices written by Jiajun Wang and published by Springer Nature. This book was released on 2021-10-02 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book comprehensively outlines synchrotron-based X-ray imaging technologies and their associated applications in gaining fundamental insights into the physical and chemical properties as well as reaction mechanisms of energy materials. In this book the major X-ray imaging technologies utilised, depending on research goals and sample specifications, are discussed. With X-ray imaging techniques, the morphology, phase, lattice and strain information of energy materials in both 2D and 3D can be obtained in an intuitive way. In addition, due to the high penetration of X-rays, operando/in situ experiments can be designed to track the qualitative and quantitative changes of the samples during operation. This book will broader the reader’s view on X-ray imaging techniques and inspire new ideas and possibilities in energy materials research.
Book Synopsis Reviews in Computational Chemistry, Volume 28 by : Abby L. Parrill
Download or read book Reviews in Computational Chemistry, Volume 28 written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2015-04-27 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protein Folding Pathways Assessing Structural Predictions of Protein-Protein Recognition Kinetic Monte Carlo Simulation of Electrochemical Systems Reactivity and Dynamics at Liquid Interfaces
Book Synopsis Electrochemical Energy Conversion and Storage Systems for Future Sustainability by : Aneeya Kumar Samantara
Download or read book Electrochemical Energy Conversion and Storage Systems for Future Sustainability written by Aneeya Kumar Samantara and published by CRC Press. This book was released on 2020-11-16 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new volume discusses new and well-known electrochemical energy harvesting, conversion, and storage techniques. It provides significant insight into the current progress being made in this field and suggests plausible solutions to the future energy crisis along with approaches to mitigate environmental degradation caused by energy generation, production, and storage. Topics in Electrochemical Energy Conversion and Storage Systems for Future Sustainability: Technological Advancements address photoelectrochemical catalysis by ZnO, hydrogen oxidation reaction for fuel cell application, and miniaturized energy storage devices in the form of micro-supercapacitors. The volume looks at the underlying mechanisms and acquired first-hand information on how to overcome some of the critical bottlenecks to achieve long-term and reliable energy solutions. The detailed synthesis processes that have been tried and tested over time through rigorous attempts of many researchers can help in selecting the most effective and economical ways to achieve maximum output and efficiency, without going through time-consuming and complex steps. The theoretical analyses and computational results corroborate the experimental findings for better and reliable energy solutions.
Book Synopsis Machine Learning and Data Mining in Materials Science by : Norbert Huber
Download or read book Machine Learning and Data Mining in Materials Science written by Norbert Huber and published by Frontiers Media SA. This book was released on 2020-04-22 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Nanoelectronic Device Applications Handbook by : James E. Morris
Download or read book Nanoelectronic Device Applications Handbook written by James E. Morris and published by CRC Press. This book was released on 2017-11-22 with total page 942 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoelectronic Device Applications Handbook gives a comprehensive snapshot of the state of the art in nanodevices for nanoelectronics applications. Combining breadth and depth, the book includes 68 chapters on topics that range from nano-scaled complementary metal–oxide–semiconductor (CMOS) devices through recent developments in nano capacitors and AlGaAs/GaAs devices. The contributors are world-renowned experts from academia and industry from around the globe. The handbook explores current research into potentially disruptive technologies for a post-CMOS world. These include: Nanoscale advances in current MOSFET/CMOS technology Nano capacitors for applications such as electronics packaging and humidity sensors Single electron transistors and other electron tunneling devices Quantum cellular automata and nanomagnetic logic Memristors as switching devices and for memory Graphene preparation, properties, and devices Carbon nanotubes (CNTs), both single CNT and random network Other CNT applications such as terahertz, sensors, interconnects, and capacitors Nano system architectures for reliability Nanowire device fabrication and applications Nanowire transistors Nanodevices for spintronics The book closes with a call for a new generation of simulation tools to handle nanoscale mechanisms in realistic nanodevice geometries. This timely handbook offers a wealth of insights into the application of nanoelectronics. It is an invaluable reference and source of ideas for anyone working in the rapidly expanding field of nanoelectronics.
Book Synopsis Transition Metal Oxides for Electrochemical Energy Storage by : Jagjit Nanda
Download or read book Transition Metal Oxides for Electrochemical Energy Storage written by Jagjit Nanda and published by John Wiley & Sons. This book was released on 2022-03-28 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Transition Metal Oxides for Electrochemical Energy Storage Explore this authoritative handbook on transition metal oxides for energy storage Metal oxides have become one of the most important classes of materials in energy storage and conversion. They continue to have tremendous potential for research into new materials and devices in a wide variety of fields. Transition Metal Oxides for Electrochemical Energy Storage delivers an insightful, concise, and focused exploration of the science and applications of metal oxides in intercalation-based batteries, solid electrolytes for ionic conduction, pseudocapacitive charge storage, transport and 3D architectures and interfacial phenomena and defects. The book serves as a one-stop reference for materials researchers seeking foundational and applied knowledge of the titled material classes. Transition Metal Oxides offers readers in-depth information covering electrochemistry, morphology, and both in situ and in operando characterization. It also provides novel approaches to transition metal oxide-enabled energy storage, like interface engineering and three-dimensional nanoarchitectures. Readers will also benefit from the inclusion of: A thorough introduction to the landscape and solid-state chemistry of transition metal oxides for energy storage An exploration of electrochemical energy storage mechanisms in transition metal oxides, including intercalation, pseudocapacitance, and conversion Practical discussions of the electrochemistry of transition metal oxides, including oxide/electrolyte interfaces and energy storage in aqueous electrolytes An examination of the characterization of transition metal oxides for energy storage Perfect for materials scientists, electrochemists, inorganic chemists, and applied physicists, Transition Metal Oxides for Electrochemical Energy Storage will also earn a place in the libraries of engineers in power technology and professions working in the electrotechnical industry seeking a one-stop reference on transition metal oxides for energy storage.
Book Synopsis Advances in Batteries for Medium and Large-Scale Energy Storage by : C Menictas
Download or read book Advances in Batteries for Medium and Large-Scale Energy Storage written by C Menictas and published by Elsevier. This book was released on 2014-12-09 with total page 634 pages. Available in PDF, EPUB and Kindle. Book excerpt: As energy produced from renewable sources is increasingly integrated into the electricity grid, interest in energy storage technologies for grid stabilisation is growing. This book reviews advances in battery technologies and applications for medium and large-scale energy storage. Chapters address advances in nickel, sodium and lithium-based batteries. Other chapters review other emerging battery technologies such as metal-air batteries and flow batteries. The final section of the book discuses design considerations and applications of batteries in remote locations and for grid-scale storage. Reviews advances in battery technologies and applications for medium and large-scale energy storage Examines battery types, including zing-based, lithium-air and vanadium redox flow batteries Analyses design issues and applications of these technologies
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Chemical Energy Storage by : Robert Schlögl
Download or read book Chemical Energy Storage written by Robert Schlögl and published by Walter de Gruyter. This book was released on 2012-12-21 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of regenerative energy in many primary forms leads to the necessity to store grid dimensions for maintaining continuous supply and enabling the replacement of fossil fuel systems. Chemical energy storage is one of the possibilities besides mechano-thermal and biological systems. This work starts with the more general aspects of chemical energy storage in the context of the geosphere and evolves to dealing with aspects of electrochemistry, catalysis, synthesis of catalysts, functional analysis of catalytic processes and with the interface between electrochemistry and heterogeneous catalysis. Top-notch experts provide a sound, practical, hands-on insight into the present status of energy conversion aimed primarily at the young emerging research front.
