<b>Atomic-Scale Modelling of Electrochemical Systems</b> <p>A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field </p><p>The first book to review state-of-the-art computational and theoretical methods
Modeling Electrochemical Energy Storage at the Atomic Scale
โ Scribed by Martin Korth
- Publisher
- Springer International Publishing
- Year
- 2018
- Tongue
- English
- Leaves
- 151
- Series
- Topics in Current Chemistry Collections
- Edition
- 1st ed.
- Category
- Library
No coin nor oath required. For personal study only.
โฆ Synopsis
The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience.
Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.
The chapters โAssessment of Simple Models for Molecular Simulation of Ethylene Carbonate and Propylene Carbonate as Solvents for Electrolyte Solutionsโ and โElucidating Solvation Structures for Rational Design of Multivalent ElectrolytesโA Reviewโ are available open access under a CC BY 4.0 License via link.springer.com.
โฆ Table of Contents
Front Matter ....Pages i-viii
Fundamental Challenges for Modeling Electrochemical Energy Storage Systems at the Atomic Scale (Axel Groร)....Pages 1-22
Interfaces and Materials in Lithium Ion Batteries: Challenges for Theoretical Electrochemistry (Johannes Kasnatscheew, Ralf Wagner, Martin Winter, Isidora Cekic-Laskovic)....Pages 23-51
Assessment of Simple Models for Molecular Simulation of Ethylene Carbonate and Propylene Carbonate as Solvents for Electrolyte Solutions (Mangesh I. Chaudhari, Ajay Muralidharan, Lawrence R. Pratt, Susan B. Rempe)....Pages 53-77
Elucidating Solvation Structures for Rational Design of Multivalent ElectrolytesโA Review (Nav Nidhi Rajput, Trevor J. Seguin, Brandon M. Wood, Xiaohui Qu, Kristin A. Persson)....Pages 79-124
Towards Synergistic ElectrodeโElectrolyte Design Principles for Nonaqueous LiโO2 batteries (Abhishek Khetan, Dilip Krishnamurthy, Venkatasubramanian Viswanathan)....Pages 125-145
โฆ Subjects
Chemistry; Electrochemistry; Energy Storage; Theoretical and Computational Chemistry
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