Computational Design and Characterization of New Battery Materials

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ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (851 download)

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Book Synopsis Computational Design and Characterization of New Battery Materials by : Jón Steinar Garðarsson Mýrdal

Download or read book Computational Design and Characterization of New Battery Materials written by Jón Steinar Garðarsson Mýrdal and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Computational Design of Battery Materials

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Publisher : Springer Nature
ISBN 13 : 3031473035
Total Pages : 589 pages
Book Rating : 4.0/5 (314 download)

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Book Synopsis Computational Design of Battery Materials by : Dorian A. H. Hanaor

Download or read book Computational Design of Battery Materials written by Dorian A. H. Hanaor and published by Springer Nature. This book was released on with total page 589 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Synergistic Use of Computational and Electrochemical Methods for the Design and Characterization of New Organic-based Cathode Materials for Electrochemical Energy Storage Applications

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Publisher :
ISBN 13 :
Total Pages : 310 pages
Book Rating : 4.:/5 (944 download)

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Book Synopsis Synergistic Use of Computational and Electrochemical Methods for the Design and Characterization of New Organic-based Cathode Materials for Electrochemical Energy Storage Applications by : Kenneth Hernandez

Download or read book Synergistic Use of Computational and Electrochemical Methods for the Design and Characterization of New Organic-based Cathode Materials for Electrochemical Energy Storage Applications written by Kenneth Hernandez and published by . This book was released on 2015 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Nanostructured Materials Engineering and Characterization for Battery Applications

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Publisher : Elsevier
ISBN 13 : 0323914217
Total Pages : 715 pages
Book Rating : 4.3/5 (239 download)

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Book Synopsis Nanostructured Materials Engineering and Characterization for Battery Applications by : Amadou Belal Gueye

Download or read book Nanostructured Materials Engineering and Characterization for Battery Applications written by Amadou Belal Gueye and published by Elsevier. This book was released on 2024-06-28 with total page 715 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Computational Design of Battery Materials

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Publisher : Springer
ISBN 13 : 9783031473029
Total Pages : 0 pages
Book Rating : 4.4/5 (73 download)

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Book Synopsis Computational Design of Battery Materials by : Dorian A. H. Hanaor

Download or read book Computational Design of Battery Materials written by Dorian A. H. Hanaor and published by Springer. This book was released on 2024-03-09 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an essential survey of the state of the art in the application of diverse computational methods to the interpretation, prediction, and design of high-performance battery materials. Rechargeable batteries have become one of the most important technologies supporting the global transition from fossil fuels to renewable energy sources. Aided by the growth of high-performance computing and machine learning technologies, computational methods are being applied to design the battery materials of the future and pave the way to a more sustainable energy economy. In this contributed collection, leading battery material researchers from across the globe share their methods, insights, and expert knowledge in the application of computational methods for battery material design and interpretation. With chapters featuring an array of computational techniques applied to model the relevant properties of cathodes, anodes, and electrolytes, this book provides the ideal starting point for any researcher looking to integrate computational tools in the development of next-generation battery materials and processes.

Design and Analysis of Large Lithium-Ion Battery Systems

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Publisher : Artech House
ISBN 13 : 1608077144
Total Pages : 241 pages
Book Rating : 4.6/5 (8 download)

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Book Synopsis Design and Analysis of Large Lithium-Ion Battery Systems by : Shriram Santhanagopalan

Download or read book Design and Analysis of Large Lithium-Ion Battery Systems written by Shriram Santhanagopalan and published by Artech House. This book was released on 2014-12-01 with total page 241 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new resource provides you with an introduction to battery design and test considerations for large-scale automotive, aerospace, and grid applications. It details the logistics of designing a professional, large, Lithium-ion battery pack, primarily for the automotive industry, but also for non-automotive applications. Topics such as thermal management for such high-energy and high-power units are covered extensively, including detailed design examples. Every aspect of battery design and analysis is presented from a hands-on perspective. The authors work extensively with engineers in the field and this book is a direct response to frequently-received queries. With the authors’ unique expertise in areas such as battery thermal evaluation and design, physics-based modeling, and life and reliability assessment and prediction, this book is sure to provide you with essential, practical information on understanding, designing, and building large format Lithium-ion battery management systems.

Gretchen [in Rip Van Winkle].

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Publisher :
ISBN 13 :
Total Pages : 18 pages
Book Rating : 4.:/5 (611 download)

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Book Synopsis Gretchen [in Rip Van Winkle]. by :

Download or read book Gretchen [in Rip Van Winkle]. written by and published by . This book was released on 1850* with total page 18 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Computational Design of Novel Electrodes for Alkali-ion Batteries

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ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (134 download)

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Book Synopsis Computational Design of Novel Electrodes for Alkali-ion Batteries by : Xingyu Guo

Download or read book Computational Design of Novel Electrodes for Alkali-ion Batteries written by Xingyu Guo and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The alkali-ion batteries are the key to unlock the bottleneck of the renewable energy storage and pave the way for a renewable-powered future. Battery technologies for grid-scale energy storage systems requires low costs, safety, high efficiency and high sustainability. In this dissertation, we present not only in-depth understandings of the electrode working mechanism but also develop novel cathode materials for alkali-ion batteries using first principles calculations. We divide the dissertation into four project-based parts. In the first project, we performed a comprehensive study of Prussian blue and its analogues (PBAs) cathodes in aqueous sodium-ion batteries. Using density functional theory calculations, we proposed a general rule of the phase transition that dry PBAs generally undergo a phase transition from a rhombohedral Na2PR(CN)6 (where P and R are transition metals) to a tetragonal/cubic PR(CN)6 during Na extraction, which is in line with experimental observations. Using a grand potential phase diagram construction, we show that existence of lattice water and Na co-intercalation contribute to both higher energy density and better cycling stability. We also identified four new PBA compositions {Na2CoMn(CN)6, Na2NiMn(CN)6, Na2CuMn(CN)6 and Na2ZnMn(CN)6--that show great promise as cathodes for aqueous rechargeable Na-ion batteries. In the second project, we developed design rules for aqueous sodium-ion battery cathodes through a comprehensive density functional theory study of the working potential and aqueous stability of known cathode materials. These design rules were applied in a high-throughput screening of Na-ion battery cathode materials for application in aqueous electrolytes. Five promising cathode materials--NASICON-Na3Fe2(PO4)3, Na2FePO4F, Na3FeCO3PO4, alluadite-Na2Fe3(PO4)3 and Na3MnCO3PO4, were identified as hitherto unexplored aqueous sodium-ion battery cathodes, with high voltage, good capacity, high stability in aqueous environments and facile Na-ion migration. These findings pave the way the practical cathode development for large-scale energy storage systems based on aqueous Na-ion battery chemistry. Then in the third project, we constructed a large database of aqueous Na-ion battery cathodes (Na-ion Aqueous Electrode Database, or NAED) based on the developed design rules in the second project. By screening and analyze the data in the database, we identified two promising candidates, NaMn2O4 and Na2(FeVO4)3 for synthesis and experimentation in aqueous sodium-ion batteries. The final project presents a comprehensive study of Li insertion mechanism in DRX-Li3V2O5 anode in Li-ion batteries. Using a combination of first-principles calculations, cluster expansion and machine learning methods, we show that during discharge, Li ions mainly intercalate into tetrahedral sites, while the majority of Li and V ions in octahedral sites remain stable. Furthermore, its fast-charging nature is attributed to the facile diffusivity of Li ions via a correlated "octahedral-tetrahedral-octahedral" Li diffusion.

Proceedings of the American Society for Composites, Seventeenth Technical Conference

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Publisher : CRC Press
ISBN 13 : 0849315018
Total Pages : 1685 pages
Book Rating : 4.8/5 (493 download)

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Book Synopsis Proceedings of the American Society for Composites, Seventeenth Technical Conference by : C. T. Sun

Download or read book Proceedings of the American Society for Composites, Seventeenth Technical Conference written by C. T. Sun and published by CRC Press. This book was released on 2002-10-24 with total page 1685 pages. Available in PDF, EPUB and Kindle. Book excerpt:

New and Future Developments in Catalysis

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Publisher : Newnes
ISBN 13 : 044453881X
Total Pages : 551 pages
Book Rating : 4.4/5 (445 download)

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Book Synopsis New and Future Developments in Catalysis by : Steven L Suib

Download or read book New and Future Developments in Catalysis written by Steven L Suib and published by Newnes. This book was released on 2013-07-11 with total page 551 pages. Available in PDF, EPUB and Kindle. Book excerpt: New and Future Developments in Catalysis is a package of seven books that compile the latest ideas concerning alternate and renewable energy sources and the role that catalysis plays in converting new renewable feedstock into biofuels and biochemicals. Both homogeneous and heterogeneous catalysts and catalytic processes will be discussed in a unified and comprehensive approach. There will be extensive cross-referencing within all volumes.Batteries and fuel cells are considered to be environmentally friendly devices for storage and production of electricity, and they are gaining considerable attention. The preparation of the feed for fuel cells (fuel) as well as the catalysts and the various conversion processes taking place in these devices are covered in this volume, together with the catalytic processes for hydrogen generation and storage. An economic analysis of the various processes is also part of this volume and enables an informed choice of the most suitable process. Offers in-depth coverage of all catalytic topics of current interest and outlines future challenges and research areas A clear and visual description of all parameters and conditions, enabling the reader to draw conclusions for a particular case Outlines the catalytic processes applicable to energy generation and design of green processes

High Performance Computing in Science and Engineering ́16

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Publisher : Springer
ISBN 13 : 3319470663
Total Pages : 666 pages
Book Rating : 4.3/5 (194 download)

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Book Synopsis High Performance Computing in Science and Engineering ́16 by : Wolfgang E. Nagel

Download or read book High Performance Computing in Science and Engineering ́16 written by Wolfgang E. Nagel and published by Springer. This book was released on 2017-01-11 with total page 666 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the state-of-the-art in supercomputer simulation. It includes the latest findings from leading researchers using systems from the High Performance Computing Center Stuttgart (HLRS) in 2016. The reports cover all fields of computational science and engineering ranging from CFD to computational physics and from chemistry to computer science with a special emphasis on industrially relevant applications. Presenting findings of one of Europe’s leading systems, this volume covers a wide variety of applications that deliver a high level of sustained performance. The book covers the main methods in high-performance computing. Its outstanding results in achieving the best performance for production codes are of particular interest for both scientists and engineers. The book comes with a wealth of color illustrations and tables of results.

The Chemical Bond in Inorganic Chemistry

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Publisher : Oxford University Press
ISBN 13 : 019109305X
Total Pages : 313 pages
Book Rating : 4.1/5 (91 download)

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Book Synopsis The Chemical Bond in Inorganic Chemistry by : I. David Brown

Download or read book The Chemical Bond in Inorganic Chemistry written by I. David Brown and published by Oxford University Press. This book was released on 2016-09-29 with total page 313 pages. Available in PDF, EPUB and Kindle. Book excerpt: The bond valence model, a description of acid-base bonding, is widely used for analysing and modelling the structures and properties of solids and liquids. Unlike other models of inorganic chemical bonding, the bond valence model is simple, intuitive, and predictive, and is accessible to anyone with a pocket calculator and a secondary school command of chemistry and physics. This new edition of 'The Chemical Bond in Inorganic Chemistry: The Bond Valence Model' shows how chemical properties arise naturally from the conflict between the constraints of chemistry and those of three-dimensional space. The book derives the rules of the bond valence model, as well as those of the traditional covalent, ionic and popular VSEPR models, by identifying the chemical bond with the electrostatic flux linking the bonded atoms. Most of the new edition is devoted to showing how to apply these ideas to real materials including crystals, liquids, glasses and surfaces. The work includes detailed examples of applications, and the final chapter explores the relationship between the flux and quantum theories of the bond.

Modeling Electrochemical Energy Storage at the Atomic Scale

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Publisher : Springer
ISBN 13 : 3030005933
Total Pages : 145 pages
Book Rating : 4.0/5 (3 download)

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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.

Machine Learning in 2D Materials Science

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Publisher : CRC Press
ISBN 13 : 1000987434
Total Pages : 249 pages
Book Rating : 4.0/5 (9 download)

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Book Synopsis Machine Learning in 2D Materials Science by : Parvathi Chundi

Download or read book Machine Learning in 2D Materials Science written by Parvathi Chundi and published by CRC Press. This book was released on 2023-11-13 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: Data science and machine learning (ML) methods are increasingly being used to transform the way research is being conducted in materials science to enable new discoveries and design new materials. For any materials science researcher or student, it may be daunting to figure out if ML techniques are useful for them or, if so, which ones are applicable in their individual contexts, and how to study the effectiveness of these methods systematically. KEY FEATURES • Provides broad coverage of data science and ML fundamentals to materials science researchers so that they can confidently leverage these techniques in their research projects. • Offers introductory material in topics such as ML, data integration, and 2D materials. • Provides in-depth coverage of current ML methods for validating 2D materials using both experimental and simulation data, researching and discovering new 2D materials, and enhancing ML methods with physical properties of materials. • Discusses customized ML methods for 2D materials data and applications and high-throughput data acquisition. • Describes several case studies illustrating how ML approaches are currently leading innovations in the discovery, development, manufacturing, and deployment of 2D materials needed for strengthening industrial products. • Gives future trends in ML for 2D materials, explainable AI, and dealing with extremely large and small, diverse datasets. Aimed at materials science researchers, this book allows readers to quickly, yet thoroughly, learn the ML and AI concepts needed to ascertain the applicability of ML methods in their research.

Electrochemical Storage Materials

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Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110491877
Total Pages : 645 pages
Book Rating : 4.1/5 (14 download)

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Book Synopsis Electrochemical Storage Materials by : Dirk C. Meyer

Download or read book Electrochemical Storage Materials written by Dirk C. Meyer and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 645 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Scientific and Technical Aerospace Reports

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Publisher :
ISBN 13 :
Total Pages : 1102 pages
Book Rating : 4.X/5 (2 download)

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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 1991 with total page 1102 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Microscopy and Microanalysis for Lithium-Ion Batteries

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Publisher : CRC Press
ISBN 13 : 1000867609
Total Pages : 479 pages
Book Rating : 4.0/5 (8 download)

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Book Synopsis Microscopy and Microanalysis for Lithium-Ion Batteries by : Cai Shen

Download or read book Microscopy and Microanalysis for Lithium-Ion Batteries written by Cai Shen and published by CRC Press. This book was released on 2023-05-26 with total page 479 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides comprehensive techniques that probe the fundamentals of Li-ion batteries Each chapter covers the basic principles of the techniques involved as well as its application in battery research Describes details of experimental set-ups and procedure for successful experiments