Description and contextualization of the subject

The constant increase in the worldwide energy demand and the need to move away from the energy production based on non-renewable sources have involved a change in the paradigm of mobility and a leading role of the renewable energy sources. These changes rely on a significant improvement of the energy distribution for which energy storage systems are of capital importance.



The Energy storage 2 course will be focused on future energy storage technologies that are in different levels of maturity, presenting the fundamental scientific-technical concepts involved as well as the process methods and domains of application. 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 also 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.

Ordinary call: orientations and renunciation

Written exam: 50%

Report: 30%

Oral exam (report presentation): 20%



A written test will be performed once the subject is finished. The test will be divided into five blocks, one per chapter. Each block will score over 10 points up to a maximum of 50. It is mandatory to obtain at least 5 points in each block to take into account the written test score for the calculation of the final mark.



Students will have to prepare a report about one of the chapters in the subject. This report will be marked over 30 points, being 15 the minimum mark for this report to be considered into the final mark.



The report will be presented in 20 minutes and will be scored over 20 points after evaluation by the teachers. In this case, it is mandatory to obtain at least 10 points for the calculation of the final mark setting the final score on a maximum of 100 points.

Extraordinary call: orientations and renunciation

The procedure indicated in the ordinary call will be followed. Students who have not passed or have declined the activities to assess the learning outcomes throughout the course (laboratory practices, exercises, etc.) should be examined in the corresponding competences through an additional oral test in this extraordinary convocation.

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 and advantages.



2- New chemistries for electrochemical energy storage

Introduction to emerging battery technologies such as Na-ion, K-ion and metal-air. Study their principles of operation, including the metal-air cell design, catalysis and oxygen reduction and oxidation reactions.



3- Electrochemical capacitors

Introduction to the operational features, major types, and applications of supercapacitors: i) basic principles; ii) cell configurations; iii) analytical techniques and data treatment; iv) main applications of supercapacitors.



4- Computational chemistry methods for solids

Introduction to quantum chemistry and computational design of energy-storage materials for rechargeable batteries: density functional theory and molecular dynamics simulations



5- New processing methods

Introduction to current processing methods. Interdisciplinary processing technologies applied to production of energy storage systems.

Bibliography

Compulsory materials

Students should use the collections of issues and problems that teachers will publish at the beginning of the course, and for each topic, on the eGela platform.







The student will have on the eGela platform, of the subject matter and of the practical scripts in electronic format to favor the understanding of the subjects and the agile follow-up of the classes.

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.

In-depth bibliography

- Multivalent rechargeable batteries, A. Ponrouch, J. Biten, R. Dominko, N. Lindahl, P. Johansson and R. Palacin, Energy Storage Materials (2019). In press, open access (DOI: https://doi.org/10.1016/j.ensm.2019.04.012 )







- Towards K‐Ion and Na‐Ion Batteries as “Beyond Li‐Ion”, K. Kubota, M. Dahbi, T. Hosaka, S. Kumakura, S. Komaba, The Chemical Report 18, 459 (2018) (DOI: https://doi.org/10.1002/tcr.201700057 )







- E. Goikolea, R. Mysyk, Chapter 4 “Nanotechnology in Electrochemical Capacitors”, in Emerging Nanotechnologies in Rechargeable Energy Storage System, Editors: Lide M Rodriguez-Martinez, Noshin Omar, Elsevier, 2017, p.131-169.







- N. J. Dudney and B. J. Neudecker, “Solid State Thin-Film Lithium Battery Systems,” Curr. Opin. Solid State Mat. Sci., 4(5) (1999), pp. 479–482.