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Molecular Level Material Designs For Realistic Lithium Batteries
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Book Synopsis Molecular-level Material Designs for Realistic Lithium Batteries by : Zhiao Yu
Download or read book Molecular-level Material Designs for Realistic Lithium Batteries written by Zhiao Yu and published by . This book was released on 2022 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Lithium (Li)-ion batteries have become the pivot of modern energy storage due to their predominant role in powering consumer electronics and electric vehicles. However, with mature manufacturing and production, the energy density of current Li-ion batteries is reaching the theoretical limit. Substantial efforts in both academia and industry are being made to invent next-generation battery chemistries, such as near-future trending Li-ion electrodes including silicon (Si) based anodes, high-voltage LiNi0.5Mn1.5O4 (LNMO) cathode, layered Li-rich Mn-based oxide (LLMO) cathodes, etc. and far-future high-energy Li metal batteries. For near-future Li-ion chemistries such as Si based anodes, LNMO and LLMO cathodes, the existing electrolyte technologies are far from satisfaction. Therefore, liquid electrolyte engineering becomes a pragmatic and imperative approach, and calls for rational design and in-depth understanding of new electrolytes. Li metal battery is a technology existed and commercialized before Li-ion counterpart but forsaken due to safety issues. The kernel, Li metal anodes, endows batteries with high specific energy; however, this is accomplished at the expense of reduced cycle life and increased safety hazards due to the extremely high reactivity and volume fluctuation of Li metal anodes. Therefore, continuous developments of Li metal batteries are demanded to meet the requirements of practical applications. In Chapter 1, background will be provided on current status and recent research efforts of next-generation Li-ion and Li metal batteries. In Chapter 2 and 3, material design artificial solid-electrolyte interphase for protecting Li metal anodes will be discussed. In Chapters 4 and 5, liquid electrolyte engineering and iterative tuning of molecular structure will be elaborated. In Chapter 6, fine tuning of carbonate electrolytes will be demonstrated in the trending Li-ion batteries for near-future practical applications. In Chapter 7, summary and promising directions of future battery developments will be outlooked.
Book Synopsis Synthesis and Design of Small Molecule-Based Functional Materials: Applications in Lithium-Ion Batteries and Molecular Machines by : Geeta Vadehra
Download or read book Synthesis and Design of Small Molecule-Based Functional Materials: Applications in Lithium-Ion Batteries and Molecular Machines written by Geeta Vadehra and published by . This book was released on 2016 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solid-state organic chemistry is a broad topic with a wide variety of materials applications. This dissertation focuses on two very different applications, and should be considered in two separate parts. Part One focuses on the use of organic compounds as electrode materials in lithium ion batteries (Chapters Two and Three) and Part Two focuses on the design of molecular rotors for their applications in molecular machines (Chapters Four and Five). Part One. The application of organic redox reactions in lithium ion batteries is a relatively unexplored topic. Though first examined in the early 1970s, the field was quickly abandoned in favor of inorganic insertion compounds, which showed more desirable redox potentials and lower solubility in typical organic electrolyte solvents. As such, these metal oxides have dominated the field ever since. However, while these compounds show impressive performance, they are plagued with unavoidable environmental consequences of their continued use. Organic alternatives provide a useful platform to circumventing this, which has sparked a resurgence of interest in the last decade in addressing the two issues mentioned above. Chapter Two. The redox potentials demonstrated in organic redox reactions most often fall approximately halfway between those displayed by traditional cathode and anode materials--meaning that applying these to either would cut the cell voltage in half. However, as this is an effect of the electronics of the process, it follows that controlling the electronics would control this. Naphthalene diimides provide an ideal model to explore the effects of probing the electronics of the material based on their low solubility and redox capabilities. In this chapter, the synthesis and characterization of a family of naphthalene diimide derivatives is documented, along with the tunability of the electronics of the redox process based on substituent effects and the subsequent control that can be exhibited on the experimental discharge potentials. Chapter Three. The motivation for exploring the redox capabilities of organic compounds for electrodes to replace the inorganic insertion compounds that currently dominate the field is largely based on the environmental implications of the current materials. A recent discovery that a furan backbone can be accessed in highly sustainable methods provided an environmentally friendly synthesis of furan dicarbonyl derivatives such that their electrochemical activity could be characterized. Part Two. Analogous to their macroscopic counterparts, a machine on the molecular scale requires the cooperative movement of its parts. The Garcia-Garibay group has developed the design of the molecular gyroscope, which, like a macroscopic gyroscope, has both stationary and rotating parts. However, incorporation of this motion into the solid requires control not just with regard to molecular design, but, also with regard to crystal packing. In the context of the molecular gyroscope, this means that in order for the rotating component to rotate, sufficient free volume around it is required. Chapter Four. While the inability to predict crystal packing remains a major obstacle in the field of crystal engineering, it has been shown that the use of hexamethyl triptycene as the stator portion can allow for an optimal packing arrangement of the rotor molecules. However, closer inspection of the crystal structure revealed that the free volume discussed above, was actually filled by crystallographically defined solvent molecules. Despite this, the system demonstrated impressive rotational dynamics. Given the dynamics of this system in combination with analysis of the crystal structure demonstrated the presence of a correlated motion analogous to a macroscopic "gearing" system. This chapter documents synthetic advances that allow access to this system efficiently such that appreciable quantities of this rotor and a variety of its derivatives can be accessed in order to fully characterize their rotation dynamics. Preliminary data showing qualitative evidence of a correlated motion are presented, but studies are still ongoing. Chapter Five. Inspired by the work discussed in the previous chapter, it followed that while iptycene based stators would often lead to rotors with a tendency to interdigitate, peripheral substitution was a promising strategy to overcome this obstacle. Despite this, traditional strategies of synthesizing these compounds were considerably too long and low yielding to be practical for further study. With this in mind, this chapter documents the development of an efficient, high yielding method for late stage installation of peripheral substitution that can be applied not just to triptycenes, but also to pentiptycenes.
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:
Book Synopsis A Molecular Engineering Approach by : Jiaxu Qin
Download or read book A Molecular Engineering Approach written by Jiaxu Qin and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lithium-sulfur (Li-S) batteries have attracted great attention as the next-generation batteries due to their high theoretical gravimetric energy density of ~2510 Wh/kg in comparison to ~400 Wh/kg for lithium-ion (Li-ion) batteries. Besides, sulfur has advantages, including abundant reserves, low price, and environmental friendliness. However, the practical application of Li-S batteries is hindered by several challenges of sulfur cathode such as dissolution of lithium polysulfides (LiPSs) in the electrolyte, the cracks issue caused by volume change of active materials during cycling, and poor conductivity, which reduce the capacity and cycle life of practical cells significantly. Even worse, these challenges become more severe when fabricating high-loading sulfur cathode, which is the path to the commercial application of Li-S batteries. In this doctoral dissertation, I have developed a "bottom-up" molecular engineering strategy to achieve high-loading, long-cycle-life sulfur cathode based on a multi-functional binders design. To confine LiPSs, Chapter 2 demonstrates the design and synthesis of novel binder PENDI based on redox active naphthalene diimide (NDI), which confines LiPSs through chemical interactions and redox mediation effect. The detailed redox mediation mechanism of PENDI to reduce the accumulation of LiPSs is proposed, providing a promising strategy to prevent the dissolution of LiPSs via an organic redox mediator. Chapter 3 presents the strategy to mitigate cracks by reversibly crosslinking PENDI with triPy crosslinker based on pi-pi interaction. The resulting PENDI/triPy supramolecular network demonstrates not only enhanced mechanical properties, but also tunable self-healing properties. Besides, a strategy to decouple macro-scale properties from the covalent structure of supramolecular polymers is reported to tune both mechanical and self-healing properties over a wide range, without changing the structure of polymer components. Building upon Chapter 2 and Chapter 3, Chapter 4 integrates the molecular designs into sulfur cathode and details the optimization of high-loading, long-cycle-life sulfur cathodes by mechanically stabilizing sulfur cathode with PENDI-based binders. By utilizing triPy crosslinker and PVDF additive, both the toughness and stiffness of PENDI-based binders are dramatically improved, enabling the fabrication of sulfur cathode with high areal discharge capacity (> 4.1 mAh/cm2, C/10 rate) and high cathode discharge capacity (> 10 mAh).
Book Synopsis Designing Electrolytes for Lithium-Ion and Post-Lithium Batteries by : Władysław Wieczorek
Download or read book Designing Electrolytes for Lithium-Ion and Post-Lithium Batteries written by Władysław Wieczorek and published by CRC Press. This book was released on 2021-06-23 with total page 345 pages. Available in PDF, EPUB and Kindle. Book excerpt: Every electrochemical source of electric current is composed of two electrodes with an electrolyte in between. Since storage capacity depends predominantly on the composition and design of the electrodes, most research and development efforts have been focused on them. Considerably less attention has been paid to the electrolyte, a battery’s basic component. This book fills this gap and shines more light on the role of electrolytes in modern batteries. Today, limitations in lithium-ion batteries result from non-optimal properties of commercial electrolytes as well as scientific and engineering challenges related to novel electrolytes for improved lithium-ion as well as future post-lithium batteries.
Book Synopsis Lithium-Ion Batteries and Solar Cells by : Ming-Fa Lin
Download or read book Lithium-Ion Batteries and Solar Cells written by Ming-Fa Lin and published by CRC Press. This book was released on 2021-01-20 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lithium-Ion Batteries and Solar Cells: Physical, Chemical, and Materials Properties presents a thorough investigation of diverse physical, chemical, and materials properties and special functionalities of lithium-ion batteries and solar cells. It covers theoretical simulations and high-resolution experimental measurements that promote a full understanding of the basic science to develop excellent device performance. Employs first-principles and the machine learning method to fully explore the rich and unique phenomena of cathode, anode, and electrolyte (solid and liquid states) in lithium-ion batteries Develops distinct experimental methods and techniques to enhance the performance of lithium-ion batteries and solar cells Reviews syntheses, fabrication, and measurements Discusses open issues, challenges, and potential commercial applications This book is aimed at materials scientists, chemical engineers, and electrical engineers developing enhanced batteries and solar cells for peak performance.
Book Synopsis Lithium-Ion Batteries by : Gianfranco Pistoia
Download or read book Lithium-Ion Batteries written by Gianfranco Pistoia and published by Newnes. This book was released on 2013-12-16 with total page 659 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lithium-Ion Batteries features an in-depth description of different lithium-ion applications, including important features such as safety and reliability. This title acquaints readers with the numerous and often consumer-oriented applications of this widespread battery type. Lithium-Ion Batteries also explores the concepts of nanostructured materials, as well as the importance of battery management systems. This handbook is an invaluable resource for electrochemical engineers and battery and fuel cell experts everywhere, from research institutions and universities to a worldwide array of professional industries. Contains all applications of consumer and industrial lithium-ion batteries, including reviews, in a single volume Features contributions from the world's leading industry and research experts Presents executive summaries of specific case studies Covers information on basic research and application approaches
Book Synopsis The Handbook of Lithium-Ion Battery Pack Design by : John T. Warner
Download or read book The Handbook of Lithium-Ion Battery Pack Design written by John T. Warner and published by Elsevier. This book was released on 2024-05-15 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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?
Book Synopsis Lithium-Ion Batteries: Basics and Applications by : Reiner Korthauer
Download or read book Lithium-Ion Batteries: Basics and Applications written by Reiner Korthauer and published by Springer. This book was released on 2018-08-07 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: The 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.
Book Synopsis Polymer-Based Separators for Lithium-Ion Batteries by : Mark T. DeMeuse
Download or read book Polymer-Based Separators for Lithium-Ion Batteries written by Mark T. DeMeuse and published by Elsevier. This book was released on 2021-04-02 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polymer-Based Separators for Lithium-Ion Batteries: Production, Processing, and Properties takes a detailed, systematic approach to the development of polymer separators for lithium-ion batteries, supporting the reader in selecting materials and processes for high-performance polymer separators with enhanced properties. The book begins by introducing the polymeric materials that may be used for separators, as well as characterization techniques, before presenting the available technologies used to produce separators for use in lithium-ion batteries. Each technology is discussed in terms of the advantages and disadvantages of the chosen approach, with the properties of the separators made via each technology also summarized and compared in detail. In addition, areas for further development are addressed, and the limitations of current materials and separators in achieving those goals are highlighted. This is a valuable resource for scientists and engineers in the industry who work on polymer-based battery separators, polymers for electronic/energy applications, and new materials and processes for lithium-ion batteries. In academia, this book will be of interest to researchers and advanced students across the fields of polymer science, materials science, electronics, energy, and chemical engineering. Covers all current and new technologies used in the production of polymer battery separators for lithium-ion batteries Analyzes the connections between the various materials and processes, advantages and disadvantages, and resulting properties of different polymer-based separators Enables the reader to develop polymer separators that meet industry standards and property and performance requirements
Book Synopsis Linking Molecular-level Interactions to Lithium Battery Electrolyte Properties by : Daniel Min Seo
Download or read book Linking Molecular-level Interactions to Lithium Battery Electrolyte Properties written by Daniel Min Seo and published by . This book was released on 2012 with total page 176 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Batteries in a Portable World written by and published by . This book was released on 2016 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computer Aided Engineering of Batteries by : Shriram Santhanagopalan
Download or read book Computer Aided Engineering of Batteries written by Shriram Santhanagopalan and published by Springer Nature. This book was released on 2023-03-14 with total page 289 pages. Available in PDF, EPUB and Kindle. Book excerpt: This edited volume, with contributions from the Computer Aided Engineering for Batteries (CAEBAT) program, provides firsthand insights into nuances of implementing battery models in actual geometries. It discusses practical examples and gaps in our understanding, while reviewing in depth the theoretical background and algorithms. Over the last ten years, several world-class academics, automotive original equipment manufacturers (OEMs), battery cell manufacturers and software developers worked together under an effort initiated by the U.S. Department of Energy to develop mature, validated modeling tools to simulate design, performance, safety and life of automotive batteries. Until recently, battery modeling was a niche focus area with a relatively small number of experts. This book opens up the research topic for a broader audience from industry and academia alike. It is a valuable resource for anyone who works on battery engineering but has limited hands-on experience with coding.
Book Synopsis Information Science for Materials Discovery and Design by : Turab Lookman
Download or read book Information Science for Materials Discovery and Design written by Turab Lookman and published by Springer. This book was released on 2015-12-12 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with an information-driven approach to plan materials discovery and design, iterative learning. The authors present contrasting but complementary approaches, such as those based on high throughput calculations, combinatorial experiments or data driven discovery, together with machine-learning methods. Similarly, statistical methods successfully applied in other fields, such as biosciences, are presented. The content spans from materials science to information science to reflect the cross-disciplinary nature of the field. A perspective is presented that offers a paradigm (codesign loop for materials design) to involve iteratively learning from experiments and calculations to develop materials with optimum properties. Such a loop requires the elements of incorporating domain materials knowledge, a database of descriptors (the genes), a surrogate or statistical model developed to predict a given property with uncertainties, performing adaptive experimental design to guide the next experiment or calculation and aspects of high throughput calculations as well as experiments. The book is about manufacturing with the aim to halving the time to discover and design new materials. Accelerating discovery relies on using large databases, computation, and mathematics in the material sciences in a manner similar to the way used to in the Human Genome Initiative. Novel approaches are therefore called to explore the enormous phase space presented by complex materials and processes. To achieve the desired performance gains, a predictive capability is needed to guide experiments and computations in the most fruitful directions by reducing not successful trials. Despite advances in computation and experimental techniques, generating vast arrays of data; without a clear way of linkage to models, the full value of data driven discovery cannot be realized. Hence, along with experimental, theoretical and computational materials science, we need to add a “fourth leg’’ to our toolkit to make the “Materials Genome'' a reality, the science of Materials Informatics.
Book Synopsis Catalysts for Alcohol-Fuelled Direct Oxidation Fuel Cells by : Zhen-Xing Liang
Download or read book Catalysts for Alcohol-Fuelled Direct Oxidation Fuel Cells written by Zhen-Xing Liang and published by Royal Society of Chemistry. This book was released on 2012-09-30 with total page 265 pages. Available in PDF, EPUB and Kindle. Book excerpt: Energy and environment issues are of paramount importance to achieve the sustainable development of our society. Alcohol-fuelled direct oxidation fuel cells (DOFCs), as a clean and highly-efficient energy harvesting engine, have attracted intensive research activity over recent decades. Electrocatalysts are the material at the very heart of the cell that determines the performance of DOFCs. The rapid advances in electrocatalysts, particularly nano-sized ones, have left current information only available in scattered journals. To be truly useful to both present and future researchers, a new book is needed to present an insightful review of the reaction nature of this research and to systematically summarize recent advances in nanocatalysts, and convey a more global perspective. Catalysts for Alcohol-fuelled Direct Oxidation Fuel Cells will present a state-of-the-art review on recent advances in nanocatalysts and electrocatalysis in DOFCs, including both proton and hydroxide ion exchange membrane fuel cells. The main topics covered include a molecular-level understanding of electrocatalysis, the design principles of electrocatalysts, recent advances in nanocatalysts and future perspectives for DOFCs. The book presents a cutting-edge collection on nanocatalysts for alcohol-fuelled direct oxidation fuel cells and brings together the most authoritative researchers in the field from both industry and academia, filling the gap between both sides. Finally, the book will provide an insightful review on electrocatalysis at the molecular- level, which will be useful for postgraduate students and junior researchers in this field. It will be an essential resource for postgraduates, researchers and policy-makers globally in academia, industry, and government institutions.
Book Synopsis Advances in Lithium-Ion Batteries by : Walter van Schalkwijk
Download or read book Advances in Lithium-Ion Batteries written by Walter van Schalkwijk and published by Springer Science & Business Media. This book was released on 2002-06-30 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the decade since the introduction of the first commercial lithium-ion battery research and development on virtually every aspect of the chemistry and engineering of these systems has proceeded at unprecedented levels. This book is a snapshot of the state-of-the-art and where the work is going in the near future. The book is intended not only for researchers, but also for engineers and users of lithium-ion batteries which are found in virtually every type of portable electronic product.
Book Synopsis Multiscale Simulations for Electrochemical Devices by : Ryoji Asahi
Download or read book Multiscale Simulations for Electrochemical Devices written by Ryoji Asahi and published by CRC Press. This book was released on 2020-01-03 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Environmental protection and sustainability are major concerns in today’s world, and a reduction in CO2 emission and the implementation of clean energy are inevitable challenges for scientists and engineers today. The development of electrochemical devices, such as fuel cells, Li-ion batteries, and artificial photosynthesis, is vital for solving environmental problems. A practical device requires designing of materials and operational systems; however, a multidisciplinary subject covering microscopic physics and chemistry as well as macroscopic device properties is absent. In this situation, multiscale simulations play an important role. This book compiles and details cutting-edge research and development of atomistic, nanoscale, microscale, and macroscale computational modeling for various electrochemical devices, including hydrogen storage, Li-ion batteries, fuel cells, and artificial photocatalysis. The authors have been involved in the development of energy materials and devices for many years. In each chapter, after reviewing the calculation methods commonly used in the field, the authors focus on a specific computational approach that is applied to a realistic problem crucial for device improvement. They introduce the simulation technique not only as an analysis tool to explain experimental results but also as a design tool in the scale of interest. At the end of each chapter, a future perspective is added as a guide for the extension of research. Therefore, this book is suitable as a textbook or a reference on multiscale simulations and will appeal to anyone interested in learning practical simulations and applying them to problems in the development of frontier and futuristic electrochemical devices.
