This 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.
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.
This is the first machine-generated scientific book in chemistry published by Springer Nature. Serving as an innovative prototype defining the current status of the technology, it also provides an overview about the latest trends of lithium-ion batteries research. This book explores future ways of informing researchers and professionals. State-of-the-art computer algorithms were applied to: select relevant sources from Springer Nature publications, arrange these in a topical order, and provide succinct summaries of these articles. The result is a cross-corpora auto-summarization of current texts, organized by means of a similarity-based clustering routine in coherent chapters and sections. This book summarizes more than 150 research articles published from 2016 to 2018 and provides an informative and concise overview of recent research into anode and cathode materials as well as further aspects such as separators, polymer electrolytes, thermal behavior and modelling. With this prototype, Springer Nature has begun an innovative journey to explore the field of machine-generated content and to find answers to the manifold questions on this fascinating topic. Therefore it was intentionally decided not to manually polish or copy-edit any of the texts so as to highlight the current status and remaining boundaries of machine-generated content. Our goal is to initiate a broad discussion, together with the research community and domain experts, about the future opportunities, challenges and limitations of this technology.
Discusses a wide range of material types, such as nanomaterials, carbonaceous electrocatalysts and electrolytes, thin films, phase change materials, 2D energy materials, triboelectric materials, and membrane materials Describes such applications as flexible energy storage devices, sensors, energy storage batteries, fuel and solar cells, photocatalytic wastewater treatment, and more Aimed at researchers and technologists working to solve alternative energy issues
This book covers both the fundamental and applied aspects of advanced Na-ion batteries (NIB) which have proven to be a potential challenger to Li-ion batteries. Both the chemistry and design of positive and negative electrode materials are examined. In NIB, the electrolyte is also a crucial part of the batteries and the recent research, showing a possible alternative to classical electrolytes – with the development of ionic liquid-based electrolytes – is also explored. Cycling performance in NIB is also strongly associated with the quality of the electrode-electrolyte interface, where electrolyte degradation takes place; thus, Na-ion Batteries details the recent achievements in furthering knowledge of this interface. Finally, as the ultimate goal is commercialization of this new electrical storage technology, the last chapters are dedicated to the industrial point of view, given by two startup companies, who developed two different NIB chemistries for complementary applications and markets.
This 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.
Battery technology is constantly changing, and the concepts and applications of these changes are rapidly becoming increasingly more important as more and more industries and individuals continue to make “greener” choices in their energy sources. As global dependence on fossil fuels slowly wanes, there is a heavier and heavier importance placed on cleaner power sources and methods for storing and transporting that power. Battery technology is a huge part of this global energy revolution. Potassium-ion batteries were first introduced to the world for energy storage in 2004, over two decades after the invention of lithium-ion batteries. Potassium-ion (or “K-ion”) batteries have many advantages, including low cost, long cycle life, high energy density, safety, and reliability. Potassium-ion batteries are the potential alternative to lithium-ion batteries, fueling a new direction of energy storage research in many applications and across industries. Potassium-ion Batteries: Materials and Applications explores the concepts, mechanisms, and applications of the next-generation energy technology of potassium-ion batteries. Also included is an in-depth overview of energy storage materials and electrolytes. This is the first book on this technology and serves as a reference guide for electrochemists, chemical engineers, students, research scholars, faculty, and R&D professionals who are working in electrochemistry, solid-state science, material science, ionics, power sources, and renewable energy storage fields.
Reference Electrodes are a crucial part of any electrochemical system, yet an up-to-date and comprehensive handbook is long overdue. Here, an experienced team of electrochemists provides an in-depth source of information and data for the proper choice and construction of reference electrodes. This includes all kinds of applications such as aqueous and non-aqueous solutions, ionic liquids, glass melts, solid electrolyte systems, and membrane electrodes. Advanced technologies such as miniaturized, conducting-polymer-based, screen-printed or disposable reference electrodes are also covered. Essential know-how is clearly presented and illustrated with almost 200 figures.
