Computational Design of Battery Materials
Author: Dorian A. H. Hanaor
Publisher: Springer Nature
Published:
Total Pages: 589
ISBN-13: 3031473035
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Computational Approaches to Energy Materials
Author: Richard Catlow
Publisher: John Wiley & Sons
Published: 2013-04-03
Total Pages: 423
ISBN-13: 1118551443
DOWNLOAD EBOOKThe development of materials for clean and efficient energy generation and storage is one of the most rapidly developing, multi-disciplinary areas of contemporary science, driven primarily by concerns over global warming, diminishing fossil-fuel reserves, the need for energy security, and increasing consumer demand for portable electronics. Computational methods are now an integral and indispensable part of the materials characterisation and development process. Computational Approaches to Energy Materials presents a detailed survey of current computational techniques for the development and optimization of energy materials, outlining their strengths, limitations, and future applications. The review of techniques includes current methodologies based on electronic structure, interatomic potential and hybrid methods. The methodological components are integrated into a comprehensive survey of applications, addressing the major themes in energy research. Topics covered include: • Introduction to computational methods and approaches • Modelling materials for energy generation applications: solar energy and nuclear energy • Modelling materials for storage applications: batteries and hydrogen • Modelling materials for energy conversion applications: fuel cells, heterogeneous catalysis and solid-state lighting • Nanostructures for energy applications This full colour text is an accessible introduction for newcomers to the field, and a valuable reference source for experienced researchers working on computational techniques and their application to energy materials.
Electrodes for Li-ion Batteries
Author: Laure Monconduit
Publisher: John Wiley & Sons
Published: 2015-06-29
Total Pages: 100
ISBN-13: 1848217218
DOWNLOAD EBOOKThe electrochemical energy storage is a means to conserve electrical energy in chemical form. This form of storage benefits from the fact that these two energies share the same vector, the electron. This advantage allows us to limit the losses related to the conversion of energy from one form to another. The RS2E focuses its research on rechargeable electrochemical devices (or electrochemical storage) batteries and supercapacitors. The materials used in the electrodes are key components of lithium-ion batteries. Their nature depend battery performance in terms of mass and volume capacity, energy density, power, durability, safety, etc. This book deals with current and future positive and negative electrode materials covering aspects related to research new and better materials for future applications (related to renewable energy storage and transportation in particular), bringing light on the mechanisms of operation, aging and failure.
Diffusion in Condensed Matter
Author: Paul Heitjans
Publisher: Springer Science & Business Media
Published: 2006-01-16
Total Pages: 971
ISBN-13: 3540309705
DOWNLOAD EBOOKThis comprehensive, handbook-style survey of diffusion in condensed matter gives detailed insight into diffusion as the process of particle transport due to stochastic movement. It is understood and presented as a phenomenon of crucial relevance for a large variety of processes and materials. In this book, all aspects of the theoretical fundamentals, experimental techniques, highlights of current developments and results for solids, liquids and interfaces are presented.
Computational Methods of Multi-Physics Problems
Author: Timon Rabczuk
Publisher: MDPI
Published: 2019-08-20
Total Pages: 128
ISBN-13: 3039214179
DOWNLOAD EBOOKThis book offers a collection of six papers addressing problems associated with the computational modeling of multi-field problems. Some of the proposed contributions present novel computational techniques, while other topics focus on applying state-of-the-art techniques in order to solve coupled problems in various areas including the prediction of material failure during the lithiation process, which is of major importance in batteries; efficient models for flexoelectricity, which require higher-order continuity; the prediction of composite pipes under thermomechanical conditions; material failure in rock; and computational materials design. The latter exploits nano-scale modeling in order to predict various material properties for two-dimensional materials with applications in, for example, semiconductors. In summary, this book provides a good overview of the computational modeling of different multi-field problems.
Lithium-Ion Batteries: Basics and Applications
Author: Reiner Korthauer
Publisher: Springer
Published: 2018-08-07
Total Pages: 417
ISBN-13: 3662530716
DOWNLOAD EBOOKThe handbook focuses on a complete outline of lithium-ion batteries. Just before starting with an exposition of the fundamentals of this system, the book gives a short explanation of the newest cell generation. The most important elements are described as negative / positive electrode materials, electrolytes, seals and separators. The battery disconnect unit and the battery management system are important parts of modern lithium-ion batteries. An economical, faultless and efficient battery production is a must today and is represented with one chapter in the handbook. Cross-cutting issues like electrical, chemical, functional safety are further topics. Last but not least standards and transportation themes are the final chapters of the handbook. The different topics of the handbook provide a good knowledge base not only for those working daily on electrochemical energy storage, but also to scientists, engineers and students concerned in modern battery systems.
Conducting Polymers-Based Energy Storage Materials
Author: Dr Inamuddin
Publisher: CRC Press
Published: 2019-12-10
Total Pages: 353
ISBN-13: 0429510888
DOWNLOAD EBOOKConducting polymers are organic polymers which contain conjugation along the polymer backbone that conduct electricity. Conducting polymers are promising materials for energy storage applications because of their fast charge–discharge kinetics, high charge density, fast redox reaction, low-cost, ease of synthesis, tunable morphology, high power capability and excellent intrinsic conductivity compared with inorganic-based materials. Conducting Polymers-Based Energy Storage Materials surveys recent advances in conducting polymers and their composites addressing the execution of these materials as electrodes in electrochemical power sources. Key Features: Provides an overview on the conducting polymer material properties, fundamentals and their role in energy storage applications. Deliberates cutting-edge energy storage technology based on synthetic metals (conducting polymers) Covers current applications in next-generation energy storage devices. Explores the new aspects of conducting polymers with processing, tunable properties, nanostructures and engineering strategies of conducting polymers for energy storage. Presents up-to-date coverage of a large, rapidly growing and complex conducting polymer literature on all-types electrochemical power sources. This book is an invaluable guide for students, professors, scientists, and R&D industrial specialists working in the field of advanced science, nanodevices, flexible electronics, and energy science.
Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile
Author: Sadasivan Shankar
Publisher: Springer Nature
Published: 2021-01-25
Total Pages: 1344
ISBN-13: 3030187780
DOWNLOAD EBOOKThis book provides a broad and nuanced overview of the achievements and legacy of Professor William (“Bill”) Goddard in the field of computational materials and molecular science. Leading researchers from around the globe discuss Goddard’s work and its lasting impacts, which can be seen in today’s cutting-edge chemistry, materials science, and biology techniques. Each section of the book closes with an outline of the prospects for future developments. In the course of a career spanning more than 50 years, Goddard’s seminal work has led to dramatic advances in a diverse range of science and engineering fields. Presenting scientific essays and reflections by students, postdoctoral associates, collaborators and colleagues, the book describes the contributions of one of the world’s greatest materials and molecular scientists in the context of theory, experimentation, and applications, and examines his legacy in each area, from conceptualization (the first mile) to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard’s passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a model for us all. As he enters his second half-century of scientific research and education, this book inspires future generations of students and researchers to employ and extend these powerful techniques and insights to tackle today’s critical problems in biology, chemistry, and materials. Examples highlighted in the book include new materials for photocatalysts to convert water and CO2 into fuels, novel catalysts for the highly selective and active catalysis of alkanes to valuable organics, simulating the chemistry in film growth to develop two-dimensional functional films, and predicting ligand–protein binding and activation to enable the design of targeted drugs with minimal side effects.
Electrochemical Storage Materials
Author: Dirk C. Meyer
Publisher: Walter de Gruyter GmbH & Co KG
Published: 2018-12-17
Total Pages: 434
ISBN-13: 3110493985
DOWNLOAD EBOOKThis 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.
Computational Materials System Design
Author: Dongwon Shin
Publisher: Springer
Published: 2017-11-10
Total Pages: 239
ISBN-13: 3319682806
DOWNLOAD EBOOKThis book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.
