Molecular-level Material Designs for Realistic Lithium Batteries

Molecular-level Material Designs for Realistic Lithium Batteries PDF Author: Zhiao Yu
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Book Description
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.

Molecular-level Material Designs for Realistic Lithium Batteries

Molecular-level Material Designs for Realistic Lithium Batteries PDF Author: Zhiao Yu
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Book Description
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.

Synthesis and Design of Small Molecule-Based Functional Materials: Applications in Lithium-Ion Batteries and Molecular Machines

Synthesis and Design of Small Molecule-Based Functional Materials: Applications in Lithium-Ion Batteries and Molecular Machines PDF Author: Geeta Vadehra
Publisher:
ISBN:
Category :
Languages : en
Pages : 162

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Book Description
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.

Computational Design of Battery Materials

Computational Design of Battery Materials PDF Author: Dorian A. H. Hanaor
Publisher: Springer Nature
ISBN: 3031473035
Category :
Languages : en
Pages : 589

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Book Description


A Molecular Engineering Approach

A Molecular Engineering Approach PDF Author: Jiaxu Qin
Publisher:
ISBN:
Category : Cathodic protection
Languages : en
Pages : 0

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Book Description
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).

Designing Electrolytes for Lithium-Ion and Post-Lithium Batteries

Designing Electrolytes for Lithium-Ion and Post-Lithium Batteries PDF Author: Władysław Wieczorek
Publisher: CRC Press
ISBN: 1000076806
Category : Technology & Engineering
Languages : en
Pages : 345

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Book Description
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.

Lithium-Ion Batteries

Lithium-Ion Batteries PDF Author: Gianfranco Pistoia
Publisher: Newnes
ISBN: 0444595163
Category : Technology & Engineering
Languages : en
Pages : 659

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Book Description
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

Lithium-Ion Batteries and Solar Cells

Lithium-Ion Batteries and Solar Cells PDF Author: Ming-Fa Lin
Publisher: CRC Press
ISBN: 1000337413
Category : Technology & Engineering
Languages : en
Pages : 325

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Book Description
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.

The Handbook of Lithium-Ion Battery Pack Design

The Handbook of Lithium-Ion Battery Pack Design PDF Author: John T. Warner
Publisher: Elsevier
ISBN: 0443138087
Category : Technology & Engineering
Languages : en
Pages : 472

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Book Description
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?

Polymer-Based Separators for Lithium-Ion Batteries

Polymer-Based Separators for Lithium-Ion Batteries PDF Author: Mark T. DeMeuse
Publisher: Elsevier
ISBN: 0128204524
Category : Technology & Engineering
Languages : en
Pages : 190

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Book Description
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

Lithium-Ion Batteries: Basics and Applications

Lithium-Ion Batteries: Basics and Applications PDF Author: Reiner Korthauer
Publisher: Springer
ISBN: 3662530716
Category : Technology & Engineering
Languages : en
Pages : 417

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Book Description
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.