Operando NMR spectroscopy of batteries: Improving sensitivity and selectivity

Context: Li-ion batteries have seen tremendous success in recent years, yet the quest for batteries with even higher energy density, longer lifetime, and more sustainable materials continues. Achieving these advances requires atomic-level insights into the operation mechanisms of a battery during charge and discharge, obtained from in operando measurements. NMR spectroscopy has emerged as a powerful technique for such investigations, but it remains limited by low sensitivity and a lack of selectivity for different parts of the electrochemical cell.

Goal: The goal of this PhD project is to advance operando NMR measurements of batteries in two complementary ways: (1) increasing the experimental sensitivity through the implementation of new cell designs, and (2) targeting selected parts of the battery using advanced NMR pulse sequences. These developments will be applied to pertinent questions in both Li-ion and Na-ion batteries, investigating for example dilute species or fast processes.

The PhD will involve:

• Solid-state NMR: The focus will lie on solid-state NMR, mostly performed on static samples and on working batteries (in operando). Complementary ex situ measurements under magic-angle spinning will be performed as well.
• Cell design for operando NMR: Contributions to design and testing of new operando NMR cell formats.
• Electrochemistry: Battery assembly and cycling, analysis of electrochemical cycling data.
• Analysis of operando NMR data: Use of existing Python scripts for data visualization and interpretation. Further adaptation of these scripts to the respective datasets.

The work will be carried out at the Interdisciplinary Research Institute of Grenoble (IRIG) which is part of the CEA (French Alternative Energies and Atomic Energy Commission). The student will work in the Magnetic Resonance laboratory (RM) which belongs to the Modeling and Exploration of Materials (MEM) research unit of IRIG.

The RM group has strong expertise in ex situ and operando NMR studies of batteries, as well as in dynamic nuclear polarization (DNP) and other aspects of solid-state NMR. It offers an exciting research environment that covers instrumentation, theory, and applications. Working in this setting, together with integration into the large battery research community at CEA Grenoble, will contribute to a broad education in NMR spectroscopy and battery science.

Grenoble is a vibrant and international city at the foot of the French Alps, offering urban life as well as access to the mountains in under an hour. Switzerland, Italy, and the Mediterranean Sea are also just a few hours’ drive away.

We are looking for a highly motivated candidate with good knowledge in physical chemistry and a strong interest in solid-state NMR spectroscopy. First research experience in NMR spectroscopy and/or batteries will be a plus. Proficiency in English is essential; knowledge of French is not required.