Polymer Electrolyte Discovery Via Rational Design and High Throughput Methods
Polymer Electrolyte Discovery Via Rational Design and High Throughput Methods

Author: Michael A. Stolberg

Publisher:

Published: 2023

Total Pages: 0

ISBN-13:

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Storage of electrical energy is a cornerstone in the global endeavor to lower greenhouse gas emissions-in particular, electrochemical energy storage in the form of batteries can enable the electrification of transport through electric vehicles, as well as aid the transition to renewable energy generation such as wind and solar through stabilizing the grid and mitigating intermittency. Lithium-ion batteries, a pioneering technology to enable portable electronics, are seeing increased use in transportation and grid-scale applications due to their high energy density, and greatly decreasing production costs over the past decade. However, current lithium-ion batteries are reaching the theoretical energy density and must adhere to higher safety standards as they see use in larger scale formats. The next generation of cheaper, safer, and more energy-dense batteries will be enabled by advances in electrolytes which are the focus of this work. In this thesis, we focus on solid polymer electrolytes, which have the potential to enable more energy-dense batteries, and display improved safety compared to the highly flammable and toxic liquid electrolytes in use today. We detail our work in two main areas: the rational design of highly dissociative ionenes, and the development of a high throughput platform to increase the scale and speed of polymer electrolyte research. In the former, we investigate the impact of anion dissociation energy on ion conduction in solid polymer electrolytes via a novel class of ionenes prepared using acyclic diene metathesis polymerization of highly dissociative, liquid crystalline, fluorinated aryl sulfonimide-tagged ("FAST") anion monomers. These polyanions form well-ordered lamellae that are thermally stable and provide anionic channels for ion hopping. Electrochemical impedance spectroscopy and differential scanning calorimetry experiments, along with nudged elastic band calculations, suggest that cation motion in these materials operates via an ion hopping mechanism, which is enabled by the highly dissociative nature of FAST anions. In parallel, we developed a high throughput platform to accelerate electrolyte research. We detail the engineering problems and solutions which resulted in an estimated 100X increase in sample throughput with vastly less researcher effort. The platform is then leveraged in two case studies, first by performing the largest one-to-one comparison of lithium and sodium ion conduction in poly(ethylene oxide) to date, and secondly, the platform is employed in a machine learning-guided Bayesian optimization system to explore and optimize the ionic conductivity of electrolytes based upon poly(caprolactone). This work sets the stage for continued automation and data-driven design of polymer electrolytes for safer and more energy-dense batteries.

Rational Design of Nanostructured Polymer Electrolytes and Solid–Liquid Interphases for Lithium Batteries
Rational Design of Nanostructured Polymer Electrolytes and Solid–Liquid Interphases for Lithium Batteries

Author: Snehashis Choudhury

Publisher: Springer Nature

Published: 2019-09-25

Total Pages: 230

ISBN-13: 3030289435

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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.

Rational Design of Nanostructured Polymer Electrolytes and Solid-liquid Interphases for Lithium Batteries
Rational Design of Nanostructured Polymer Electrolytes and Solid-liquid Interphases for Lithium Batteries

Author: Snehashis Choudhury

Publisher:

Published: 2019

Total Pages: 239

ISBN-13: 9783030289447

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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.

Design of Advanced Polymer Electrolyte for High Performance Lithium and Sodium Batteries
Design of Advanced Polymer Electrolyte for High Performance Lithium and Sodium Batteries

Author: Wenfeng Liang

Publisher:

Published: 2020

Total Pages: 259

ISBN-13:

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The energy density of lithium ion batteries (LIBs) is limited by the capacities of the electrode materials. Lithium metal is a promising anode material for future LIBs due to its high theoretical specific capacity (3,860 mAh/g) and low redox potential (-3.04 V vs. standard hydrogen electrode). However, lithium plating in liquid electrolyte will form Li dendritic structure and subsequently penetrate the porous polymeric separator, resulting in battery short circuiting. A straightforward method to suppress the growth of lithium dendrites is to replace the liquid phase electrolyte with a solid-state one. Among different solid-state electrolyte candidates, solid polymer electrolyte (SPE) is advantageous due to its flexible nature and low-cost raw material. However, SPE typically exhibits low ionic conductivity compared to its liquid electrolyte counterpart, which thus could result in restricted use in battery applications. In this work, a rational approach to achieve highly ionic conductive and electrochemically stable SPEs will be discussed. A phase-diagram was firstly mapped out to provide guidance in designing a composite electrolyte with high ionic conductivity at room temperature. The thermal and electrochemical stability of SPE were then characterized. A dual-salt base electrolyte with lithium bis(oxalate)borate (LiBOB) and bis(trifluoromethanesulphonyl)imide (LiTFSI) exhibited excellent electrochemical stability from the passivation layer formed between the electrode/electrolyte interface. In addition, SPEs based on crosslinked fluoropolymer and poly(ethylene glycol) diacrylate (PEGDA) were investigated. Those properties of SPE enable the fabrication of solid-state batteries with lithium metal as an anode. Lithium plating/striping experiments and battery tests were conducted, and the results indicated that the dual-salt SPE could be a promising candidate electrolyte for next generation solid-state rechargeable battery. Sodium ion batteries display good performance yet with limited protection for the inevitable sodium dendrite growth if coupled with metallic sodium electrode, which is an adverse phenomenon that would eventually result in the deterioration of the battery. SPEs with superior ionic conductivity and outstanding electrochemical stability are promising for the all solid-state sodium batteries in grid-storage applications. In this study, a transparent free-standing SPE membrane comprising sodium perchlorate (NaClO4), PEGDA and plastic crystal molecules was fabricated. This sodium based SPE exhibits high sodium-ion conductive property (over 0.925 mS/cm at 30 oC) while being electrochemically stable. A rational approach has also been designed and achieved by using the phase diagram. The NaClO4-based SPE can not only exhibit excellent electrochemical stability with metallic sodium electrode, but also provide remarkable current rate and long-term cycling performance for the solid-state sodium metal batteries (SMB).

Fast Ion Transport in Solids
Fast Ion Transport in Solids

Author: B. Scrosati

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 375

ISBN-13: 9401119163

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The main motivation for the organization of the Advanced Research Workshop in Belgirate was the promotion of discussions on the most recent issues and the future perspectives in the field of Solid State lonics. The location was chosen on purpose since Belgirate was the place were twenty years ago, also then under the sponsorship of NATO, the very first international meeting on this important and interdisciplinary field took place. That meeting was named "Fast Ion Transport in Solids" and gathered virtually everybody at that time having been active in any aspect of motion of ions in solids. The original Belgirate Meeting made for the first time visible the technological potential related to the phenomenon of the fast ionic transport in solids and, accordingly, the field was given the name "Solid State lonics". This field is now expanded to cover a wide range of technologies which includes chemical sensors for environmental and process control, electrochromic windows, mirrors and displays, fuel cells, high performance rechargeable batteries for stationary applications and electrotraction, chemotronics, semiconductor ionics, water electrolysis cells for hydrogen economy and other applications. The main idea for holding an anniversary meeting was that of discussing the most recent issues and the future perspectives of Solid State lonics just twenty years after it has started at the same location on the lake Maggiore in North Italy.

Materials for Advanced Batteries
Materials for Advanced Batteries

Author: D. Murphy

Publisher: Springer Science & Business Media

Published: 2013-03-09

Total Pages: 366

ISBN-13: 1468438514

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The idea of a NATO Science Committee Institute on "Materials for Advanced Batteries" was suggested to JB and DWM by Dr. A. G. Chynoweth. His idea was to bring together experts in the field over the entire spectrum of pure research to applied research in order to familiarize everyone with potentially interesting new systems and the problems involved in their development. Dr. M. C. B. Hotz and Professor M. N. Ozdas were instrumental in helping organize this meeting as a NATO Advanced Science Institute. An organlzlng committee consisting of the three of us along with W. A. Adams, U. v Alpen, J. Casey and J. Rouxel organized the program. The program consisted of plenary talks and poster papers which are included in this volume. Nearly half the time of the conference was spent in study groups. The aim of these groups was to assess the status of several key aspects of batteries and prospects for research opportunities in each. The study groups and their chairmen were: Current status and new systems J. Broadhead High temperature systems W. A. Adams Interface problems B. C. H. Steele Electrolytes U. v Alpen Electrode materials J. Rouxel These discussions are summarized in this volume. We and all the conference participants are most grateful to Professor J. Rouxel for suggesting the Aussois conference site, and to both he and Dr. M. Armand for handling local arrangements.

Functional Materials For Next-generation Rechargeable Batteries
Functional Materials For Next-generation Rechargeable Batteries

Author: Jiangfeng Ni

Publisher: World Scientific

Published: 2021-02-10

Total Pages: 229

ISBN-13: 9811230684

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Over-consumption of fossil fuels has caused deficiency of limited resources and environmental pollution. Hence, deployment and utilization of renewable energy become an urgent need. The development of next-generation rechargeable batteries that store more energy and last longer has been significantly driven by the utilization of renewable energy.This book starts with principles and fundamentals of lithium rechargeable batteries, followed by their designs and assembly. The book then focuses on the recent progress in the development of advanced functional materials, as both cathode and anode, for next-generation rechargeable batteries such as lithium-sulfur, sodium-ion, and zinc-ion batteries. One of the special features of this book is that both inorganic electrode materials and organic materials are included to meet the requirement of high energy density and high safety of future rechargeable batteries. In addition to traditional non-aqueous rechargeable batteries, detailed information and discussion on aqueous batteries and solid-state batteries are also provided.

Materials for Sustainable Energy
Materials for Sustainable Energy

Author: Vincent Dusastre

Publisher: World Scientific

Published: 2011

Total Pages: 360

ISBN-13: 9814317640

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The search for cleaner, cheaper, smaller and more efficient energy technologies has to a large extent been motivated by the development of new materials. The aim of this collection of articles is therefore to focus on what materials-based solutions can offer and show how the rationale design and improvement of their physical and chemical properties can lead to energy-production alternatives that have the potential to compete with existing technologies. In terms of alternative means to generate electricity that utilize renewable energy sources, the most dramatic breakthroughs for both mobile (i.e., transportation) and stationary applications are taking place in the fields of solar and fuel cells. And from an energy-storage perspective, exciting developments can be seen emerging from the fields of rechargeable batteries and hydrogen storage.

Lithium-ion Batteries
Lithium-ion Batteries

Author: Perla B. Balbuena

Publisher: World Scientific

Published: 2004

Total Pages: 424

ISBN-13: 1860943624

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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.