Electrolytes, Interfaces and Interphases PDF Download

Author: Kang Xu
Publisher: Royal Society of Chemistry
ISBN: 1839163100
Category : Science
Languages : en
Pages : 841

View

Book Description
The authoritative textbook for those who want to enter the field of electrochemical energy storage research.

Author: S. Durand-Vidal
Publisher: Springer Science & Business Media
ISBN: 0306469405
Category : Science
Languages : en
Pages : 347

View

Book Description
The aim of this book is to provide the reader with a modern presentation of ionic solutions at interfaces, for physical chemists, chemists and theoretically oriented experimentalists in this field. The discussion is mainly on the structural and thermodynamic properties, in relation to presently available statistical mechanical models. Some dynamic properties are also presented, at a more phenomenological level. The initial chapters are devoted to the presentation of some basic concepts for bulk properties: hydrodynamic interactions, electrostatics, van der Waals forces and thermodynamics of ionic solutions in the framework of a particular model: the mean spherical approximation (MSA). Specific features of interfaces are then discussed: experimental techniques such as in-situ X-ray diffraction, STM and AFM microscopy are described. Ions at liquid/air, liquid/metal and liquid/liquid interfaces are considered from the experimental and theoretical viewpoint. Lastly some dynamic (transport) properties are included, namely the self-diffusion and conductance of small colloids (polyelectrolytes and micelles) and the kinetics of solute transfer at free liquid/liquid interfaces.

Author: Perla B. Balbuena
Publisher: World Scientific
ISBN: 1860943624
Category : Science
Languages : en
Pages : 424

View

Book Description
This invaluable book focuses on the mechanisms of formation of a solid-electrolyte interphase (SEI) on the electrode surfaces of lithium-ion batteries. The SEI film is due to electromechanical reduction of species present in the electrolyte. It is widely recognized that the presence of the film plays an essential role in the battery performance, and its very nature can determine an extended (or shorter) life for the battery. In spite of the numerous related research efforts, details on the stability of the SEI composition and its influence on the battery capacity are still controversial. This book carefully analyzes and discusses the most recent findings and advances on this topic.

Author: Snehashis Choudhury
Publisher: Springer Nature
ISBN: 3030289435
Category : Technology & Engineering
Languages : en
Pages : 230

View

Book Description
This thesis makes significant advances in the design of electrolytes and interfaces in electrochemical cells that utilize reactive metals as anodes. Such cells are of contemporary interest because they offer substantially higher charge storage capacity than state-of-the-art lithium-ion battery technology. Batteries based on metallic anodes are currently considered impractical and unsafe because recharge of the anode causes physical and chemical instabilities that produce dendritic deposition of the metal leading to catastrophic failure via thermal runaway. This thesis utilizes a combination of chemical synthesis, physical & electrochemical analysis, and materials theory to investigate structure, ion transport properties, and electrochemical behaviors of hybrid electrolytes and interfacial phases designed to prevent such instabilities. In particular, it demonstrates that relatively low-modulus electrolytes composed of cross-linked networks of polymer-grafted nanoparticles stabilize electrodeposition of reactive metals by multiple processes, including screening electrode electrolyte interactions at electrochemical interfaces and by regulating ion transport in tortuous nanopores. This discovery is significant because it overturns a longstanding perception in the field of nanoparticle-polymer hybrid electrolytes that only solid electrolytes with mechanical modulus higher than that of the metal electrode are able to stabilize electrodeposition of reactive metals.

Author: Mahdi Khajeh Talkhoncheh
Publisher:
ISBN:
Category :
Languages : en
Pages : 0

View

Book Description
The amount of energy required to satisfy the demands of the human population may not be able to be supplied solely by fossil fuels as the world population continues to rise and the supply of fossil fuels starts to decline. Lithium-ion batteries (LIBs), since being suggested as commercialized energy storage systems by Sony company in the 1990s, have been considered an important device in alternative energy solutions owing to their high energy density, wide working voltage, long cycling life, and low self-discharge rate. Improvement of the performance of these high energy chemical systems is directly linked to the understanding and improving the complex physical and chemical phenomena and exchanges that take place at their different interfaces. Surfaces or interfaces, which means structures built between dissimilar media such as liquids and solids, and interphases, which means structures formed within these dissimilar media, present significant challenges for their study and understanding since these are the regions where myriad events such as electron transfer, ion transfer and migration, reactions, and solvation/desolvation processes occur and significantly alter their configuration. A detailed understanding of battery chemistry, especially the formation of a solid electrolyte interphase (SEI)--a thin passivation layer which is generated during the first charge cycle due to the reduction of electrolytes--is still elusive. It is well known that the SEI has a strong influence on the battery performance characteristics, such as irreversible capacity, safety, and cycle life, when the SEI is a thin layer between the liquid electrolytes and anode surfaces formed by the electrochemical reductive decomposition reaction of the electrolyte during the initial few cycles. A stable SEI with full surface coverage over the electrode is important for achieving optimal electrochemical performances of Li-ion batteries. Understanding the SEI is quite challenging due to its complicated and amorphous structure. In order to investigate the physical and chemical interactions at the interfaces of energy storage devices such as Li-ion batteries a, we used ReaxFF reactive molecular dynamics simulations in the following two research areas: 1. In the last decade silicon has attracted significant attention as a potential next generation anode material for Li-ion batteries (LIBs) due to its high theoretical specific capacity (3579 mAh/g (Li15Si4)) compared to that of the commonly used graphite (372 mAh/g). However, despite the apparent attractiveness of Si in view of its application in LIBs, it is known to suffer from severe degradation problems which lead to performance losses of Si-based anodes, and the electrochemical outcome of the degradation is well documented in the literature: rapid capacity fading of the anode accompanied by the increased internal resistance of the cell. Full utilization of silicon's potential as an anode material is thus prevented by incomplete understanding of the degradation mechanisms and the resulting inability to implement effective mitigation tactics. To study the Si anode degradation at the anode/electrolyte interface, we have developed a ReaxFF reactive force field simulation protocol. In this protocol, a delithiation algorithm is employed. This novel systematic delithiation algorithm helps to capture the effect of different delithiation rates, which plays an important role in the irreversible structural change of delithiated Si. Besides, the fundamental of degradation was investigated by analyzing the relationship between the depth of discharge and corresponding volume and structural changes at different rates. 2. The SEI (solid-electrolyte interphase) is important for protecting silicon anodes in batteries from losing both silicon and electrolyte through side reactions. A major issue with this technology is SEI breakdown caused by cracking in silicon particles. A strategy is presented for creating a self-sealing SEI that automatically covers and protects the cracked surface of silicon microparticle anodes by bonding an ion pair to the silicon surface. The cations in the bond prevent silicon-electrolyte reactions while the anions migrate to the cracked surface and decompose more easily than the electrolyte. The SEI formed in this way has a double layer structure with a high concentration of lithium fluoride in the inner layer. To study the electrode electrolyte reactions at the anode/electrolyte interface, we have developed ReaxFF reactive force field parameter sets to organic electrolyte species such as ethylene carbonate, N-methyl-N-propyl pyrrolidinium bis(fluorosulfonyl)imide (PYR13FSI), LiPF6 salt and lithium-Silicon oxygen electrode. Density Functional Theory (DFT) data describing Li-associated initiation reactions for the organic electrolytes and bonding energies of Li-electrolyte structures were generated and added to ReaxFF training data and subsequently, we trained the ReaxFF parameters with the aim to find the optimal reproduction of the DFT data. This force field is capable of distinguishing Li interaction with electrolyte in presence of self-sealing layer. Moreover, these findings provide a new way to design a stable SEI at the highly dynamic electrode-electrolyte interface. In addition to this battery work, we also studied halogen interaction with platinum surfaces, a system that has received considerable attention in catalysis and semiconductor mannufacturing. These halogen gases are applied as platinum mobilizers in both deposition and corrosion or etching processes since PtCl4 adsorption from an electrolyte and subsequent reduction to metallic Pt clusters is an electrochemical pathway for obtaining highly dispersed, catalytically active Pt surfaces. A novel ReaxFF reactive force field has been developed to understand the size and shape-dependent properties of platinum nanoparticles for the design of nanoparticle-based applications. The ReaxFF force field parameters are fitted against a quantum mechanical (QM) training set containing the adsorption energy of Cl and dissociative HCl on Pt (100) and Pt (111), the energy-volume relations of PtCl2 crystals, and Cl diffusion on Pt (100) and Pt (111). ReaxFF accurately reproduces the QM training set for structures and energetics of small clusters and PtClx crystals. The predictive capacity of the force field was manifested in molecular dynamics simulations of the Cl2 and HCl molecules interactions on the (100) and)111(surfaces of c-Pt crystalline solid slabs. The etching ratio between HCl and Cl2 are compared to experimental results, and satisfactory results are obtained, indicating that this ReaxFF protocol provides a useful tool for studying the atomistic-scale details of the etching process.

Author: Jianmin Ma
Publisher: John Wiley & Sons
ISBN: 3527836381
Category : Science
Languages : en
Pages : 299

View

Book Description
Liquid Electrolyte Chemistry for Lithium Metal Batteries An of-the-moment treatment of liquid electrolytes used in lithium metal batteries Considered by many as the most-promising next-generation batteries, lithium metal batteries have grown in popularity due to their low potential and high capacity. Crucial to the development of this technology, electrolytes can provide efficient electrode electrolyte interfaces, assuring the interconversion of chemical and electrical energy. The quality of electrode electrolyte interphase, in turn, directly governs the performance of batteries. In Liquid Electrolyte Chemistry, provides a comprehensive look at the current understanding and status of research regarding liquid electrolytes for lithium metal batteries. Offering an introduction to lithium-based batteries from development history to their working mechanisms, the book further offers a glimpse at modification strategies of anode electrolyte interphases and cathode electrolytic interphases. More, by discussing the high-voltage electrolytes from their solvents—organic solvents and ionic liquids—to electrolyte additives, the text provides a thorough understanding on liquid electrolyte chemistry in the remit of lithium metal batteries. Liquid Electrolyte Chemistry for Lithium Metal Batteries readers will also find: A unique focus that reviews the development of liquid electrolytes for lithium metal batteries State-of-the-art progress and development of electrolytes for lithium metal batteries Consideration of safety, focusing the design principles of flame retardant and non-flammable electrolytes Principles and progress on low temperature and high temperature electrolytes Liquid Electrolyte Chemistry for Lithium Metal Batteries is a useful reference for electrochemists, solid state chemists, inorganic chemists, physical chemists, surface chemists, materials scientists, and the libraries that supply them.

Author: Joseph Woicik
Publisher: Springer
ISBN: 3319240439
Category : Science
Languages : en
Pages : 576

View

Book Description
This book provides the first complete and up-to-date summary of the state of the art in HAXPES and motivates readers to harness its powerful capabilities in their own research. The chapters are written by experts. They include historical work, modern instrumentation, theory and applications. This book spans from physics to chemistry and materials science and engineering. In consideration of the rapid development of the technique, several chapters include highlights illustrating future opportunities as well.

Author: Petr Vanysek
Publisher: Springer Science & Business Media
ISBN: 3642489109
Category : Science
Languages : en
Pages : 111

View

Book Description
A charge transfer across the interface between two immiscible liquid media has an important role both in nature and in man-designed applications. Ion transfer across the biological membranes, behavior of ion-selective electrodes with liquid membranes and similar sensors, extraction processes, phase transfer catalysis and applications in electroanalytical chemistry can serve as examples. Present interest in the interface between two immiscible electrolytes (liquid liquid or L/L interface) was originated by Koryta's idea (Koryta, Vanysek and Brezina 1976) that the interface between immiscible liquids could serve as a simple model for one half of a biological membrane in the contact with the surrounding electrolyte. It was also Koryta who started using the acronym ITIES (Interface between Two Immiscible Electrolyte Solutions) which generally encompasses all the phenomena discussed in this book. Physiological and electrochemical investigations have certainly well established tradition. In his classic experiments with frog thighs Luigi Galvani discovered in 1791 relationship between electricity and nerves and muscles. As outlined by Koryta and Stullk (1983) in the introduction to their book, the study of electrophysiological phenomena did not progress much for several decades and only a few experiments were performed. For instance M. Faraday (Williams, 1965) studied the electricity produced by an electric fish and Du Bois-Reymond (1848) suggested that the surface of biological formations have properties similar to the electrode of a galvanic cell. However, the properties of biological membrane could not be explained before the first concept of electrochemistry was postulated.

Author: René Hausbrand
Publisher: Springer Nature
ISBN: 303052826X
Category : Science
Languages : en
Pages : 109

View

Book Description
This book shares essential insights into the formation and properties of ionic interfaces based on the energy level structures of their interfaces obtained using a surface science approach. It covers both interfaces with liquid and solid electrolyte contacts, and includes different material classes, such as oxides and phosphates. The specific material properties result in particular effects observed at interfaces, which are often not yet, or not sufficiently, taken into account in battery development and technologies. Discussing fundamental issues concerning the properties of intercalation electrodes and electrode–solid electrolyte interfaces, the book investigates the factors that determine voltage, kinetics and reactivity. It presents experimental results on interface formation, and relates them to electron and ion energy levels in the materials and at their interfaces. It explores these topics integrating electrochemistry, solid-state ionics and semiconductor physics, and accordingly will appeal not only to battery scientists, but also to a broader scientific community, including material scientists and electrochemists.

Author: G.A. Martynov
Publisher: Springer Science & Business Media
ISBN: 3642487009
Category : Science
Languages : en
Pages : 181

View

Book Description
Most of the properties of a metal-electrolyte interface, even the spe cific nature of an electrode reaction, proneness of a metal to cor rosion, etc., are primarily determined by the electrical double layer (EDL) at this boundary. It is therefore no surprise that for the last, at least, one hundred years intent attention should have been centered on EDL. So much of material has been gathered to date that we are easi ly lost in this maze of information. A substantial part of the attempts to systematize these facts is made at present within the framework of thermodynamics. Such a confined approach is undoubtedly inadequate. The Gouy-Chapman theory and the Stern-Grahame model of the dense part of EDL developed 40-70 years ago, tailored appropriately to suit the occasion, inevitably underlie any description of EDL. This route is rather too narrow to explain all the facts at our disposal. A dire necessity has thus arisen for widening the principles of the micros copic theory. This is precisely the objective of our monograph. Fur thermore, we shall dwell at length on the comparison of the theory with experiment: without such a comparative analysis, any theory, however elegant it may be, is just an empty drum.