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PhD Opportunity within the Horizon 2020 Marie Sk ... (No replies)
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The Atomistic Modelling and Computational Simulations group at CIC energiGUNE (contact: Javier Carrasco, [email protected]) is searching for a PhD student to engage in the research and development of Li-ion conductive solid polymer electrolytes (SPEs) for rechargeable batteries within DESTINY European Doctorate Programme.
Supported and co-funded by the European Commission through the Horizon 2020 Marie Sklodowska-Curie COFUND PhD Programme and 40 other partners, DESTINY is a European Doctorate Programme (about (destiny-phd.eu)) that aims to create a paradigm change in battery research, in line with the new European context, especially Battery 2030+, a large-scale and long-term European research initiative. The vision is of inventing the sustainable batteries of the future, providing European industry with disruptive technologies and a competitive edge throughout the battery value chain.
PhD Topics for Cohort#1 (2021-2024) are now available. Applications close on 17 January.
We are specifically searching for a candidate on
Topic nº23: Novel (poly)anionic structures for highly Li-ion conductive solid polymer electrolytes: A combined theoretical and experimental study,
where we propose to combine theoretical and experimental techniques to identify and synthetize new types of anionic structures for being applied in solid-state lithium batteries, aiming at improving, among other properties, ionic conductivity and Li-ion transference number. Based on our previous recent works[1-8], we know that anionic structure flexibility and negative charge delocalization are key aspects to effectively screen good candidate Li salts for SPEs. So, based on these two criteria and considering archetype perfluorinated anions as reference, we will first employ density functional theory calculations and classical molecular dynamics simulations to computationally identify new salts. And then, for the most promising and practically suitable candidates, we will proceed to their actual synthesis and electrochemical testing taking advantage of our ample know-how on polymer electrolyte synthesis and characterization at CIC energiGUNE. Additionally, we will explore the possibility of chemically grafting some of the identified anions to different polymer backbones, with the aim of obtaining single Li-ion conductors. To this end, anion and polymer functionalizations that can maximize the interactions between the two components will be sought; again, with theoretical guidance first, followed by experimental validation. This project offers therefore the possibility of carrying out a highly multidisciplinary PhD on a highly relevant domain in battery research, exposing the student to advanced modelling and experimental approaches.
Interested candidates must apply through the following link:
https://www.destiny-phd.eu/newpage0ec3e059
To apply for Cohor#1, you need:
For details and full list of required documents please visit the following link:
https://www.destiny-phd.eu/apply
References
[1] Zhang, H., et al. Angew. Chem. Int. Ed. 2019, 58, 7829.
[2] Zhang, H. et al. Angew. Chem. Int. Ed. 2019, 58, 12070.
[3] Oteo, U., et al. ChemElectroChem 2019, 6, 1019.
[4] Zhang, H., et al. Joule, 2019, 3, 1689.
[5] Martinez‐Ibañez, M., et al. Adv. Funct. Mater., 2020, 30, 2000455.
[6] Martinez‐Ibañez, M., et al. Batteries & Supercaps, 2020, 3, 738.
[7] L. Qiao, et al. Energy Storage Mater., 2020, 32, 225.
[8] L. Meabe, et al. J. Phys. Chem. C, 2020, 124, 17981.