Description and contextualization of the subject

The Energy Storage course will be focused on future energy storage technologies that are in different levels of maturity. From supercapacitors that are a current alternative to Li-ion batteries in some applications, through next generation post Li-ion batteries, to technologies based in new chemistries. The course will present the use of computational methods as a powerful tool for battery design as well as the application of new processing methods used in other applications fields.

Learning outcomes of the subject

- To identify the main technologies that will be the new generation of post Li-ion batteries such as: Li-S, solid state and Li-metal. To evaluate the tendencies of the industry in the different technologies, degree of advance and challenges to overcome.





- To understand emerging battery technologies such as Na-ion, K-ion and multivalent ion metals such as Mg2+ and Ca2+ and metal-air:





o Fundamental similarities and differences between these technologies, and compared to commercial Li-ion batteries



o Most studied materials involved in these technologies (electrode active materials, electrolytes¿)



o Evaluation of pros and cons of these technologies in different application fields



o Level of readiness and challenges ahead toward their commercialization





- To ensure the understanding of the fundamentals of electrochemical capacitors and their applications, advantages and limitations. This includes acquiring the understanding of operating principles, electrolytes, materials, cell components, and areas of practical applications. The students will also have basic hands-on experience building laboratory scale cell prototypes.





- Understanding the possibilities offered by the atomistic simulation of battery materials, in general. Special attention will be given to being able to understand the advantages and limitations offered by the different most relevant computational techniques within the field. In this sense, the following will be introduced: (i) The theoretical background of the most commonly used techniques in the state of the art (density functional theory, force field, energy landscape sampling tools and structural optimization, etc.); (ii) The properties of materials that can be calculated (open cell voltages, ion diffusion barriers in solids, relative stability between phases, etc.) and how to compute them; and (iii) The combination of atomistic simulation and high-throughput screening techniques to accelerate the discovery of new materials.





- Understanding of the conventional processing methods in battery industry. To learn new processing techniques used in non-energy sector industry and to evaluate their potential for the mass scale fabrication of batteries in the mid to long term

Temary

1- Post lithium-ion batteries

Advances in Li-S, Li-metal and solid state batteries. Fundamental understanding of those processes that govern battery operation and performance limitations.

2- New chemistries

Introduction to emerging battery technologies such as Na-ion and metal-air. Study of new chemistries beyond lithium-based technologies.

3- Electrochemical capacitors

Introduction to the operational features, major types, and applications of supercapacitors.

4- Computational chemistry methods for solids

Introduction to quantum chemistry computational design of energy storage materials for rechargeable batteries: A focus on density functional methods.

5- New processing methods

Transfrontier processing technologies applied to production of energy storage systems.

Bibliography

Basic bibliography

- J.M. Tarascon, P. Barboux and R. Palacin. 2007. New Chemistries: Beyond Li-Ion, latest Edition, Wiley.

- V. Neburchilov and J. Zhang. 2016. Metal¿Air and Metal¿Sulfur Batteries: Fundamentals and Applications, CRC Press.

- B. Conway. 1999. Electrochemical Supercapacitors: Scientific Fundametals and Technlogical Applications, Kluwer Academic / Plenum Publishers.

- F. Béguin and E. Frackowiak. 2013. Supercapacitors: Materials, Systems, and Applications, Wiley-VCH Verlag GmbH & Co.

- F. Jensen. 2007. Introduction to Computational Chemistry, 2nd Edition, Wiley.

- R. Dronskowski and R. Hoffmann. 2005. Computational Chemistry of Solid State Materials: A Guide for Materials Scientists, Chemists, Physicists and others, Wiley.