Nuclear Magnetic Resonance Techniques in Lithium-Ion Battery Studies

Nuclear magnetic resonance (NMR) techniques have emerged as powerful tools for elucidating the fundamental processes that govern lithium‐ion battery performance and longevity. By probing the local chemical and structural environment of lithium nuclei, NMR offers direct insight into ion transport dynamics, electrode microstructure evolution and the formation and transformation of the solid electrolyte interphase (SEI). Solid‐state NMR, in situ and operando approaches allow real-time monitoring of lithium species under working conditions, revealing transient phenomena such as dendrite growth, inactive lithium accumulation and phase transitions in electrode materials. Magnetic resonance imaging variants extend these capabilities to spatially resolve lithiation fronts and defect distributions within intact cells. Advances in hyperpolarisation, notably dynamic nuclear polarisation (DNP), amplify weak NMR signals to enable selective observation of metal–SEI interfaces without cryogenic requirements. Collectively, these techniques provide a non‐invasive, quantitative and chemically specific window into key degradation pathways, guiding the design of more robust electrolytes, architectures and charge protocols. Through integration with complementary electrochemical and microscopy methods, NMR continues to shape our molecular‐level understanding of charge storage and failure mechanisms in lithium‐ion and emerging lithium‐metal systems.

Research from Nature Portfolio

Recent studies have harnessed operando NMR spectroscopy to quantify and differentiate electronically and ionically disconnected lithium in all-solid-state lithium batteries, revealing how solid electrolyte composition influences corrosion rates of dendritic versus flat lithium deposits. Complementary work has exploited conduction-electron‐driven dynamic nuclear polarisation at room temperature to enhance 7Li, 1H and 19F NMR signals selectively at the metal–SEI interface, unveiling the chemical nature and spatial distribution of interphase species during cycling. Earlier foundational demonstrations of inside-out magnetic resonance imaging within sealed cells have established non-destructive methods to map lithium concentration gradients and detect assembly defects by measuring induced magnetic field perturbations, offering a diagnostic tool for state-of-charge assessment and early fault identification.

Nuclear Magnetic Resonance Techniques in Lithium-Ion Battery Studies publication trend

The graph below shows the total number of articles in nuclear magnetic resonance techniques in lithium-ion battery studies across all publications each year (not limited to Nature Index journals).

Technical terms

Operando NMR spectroscopy: Real-time NMR measurement performed during battery operation to track dynamic chemical changes under working conditions.

Solid electrolyte interphase (SEI): A passivation layer formed on electrode surfaces that regulates lithium‐ion transport and influences stability and lifetime.

Dynamic nuclear polarisation (DNP): A hyperpolarisation technique that transfers spin polarisation from unpaired electrons to nuclei, enhancing NMR signal intensity at room temperature.

In situ magnetic resonance imaging (MRI): Spatially resolved NMR imaging conducted within intact cells to visualise lithiation fronts, defect distributions and state-of-charge gradients.

Inactive lithium: Lithium metal or ions that have become electronically or ionically disconnected from the electrode network, leading to capacity fade.

References

1. Understanding the failure process of sulfide-based all-solid-state lithium batteries via operando nuclear magnetic resonance spectroscopy. Nature Communications (2023).
2. The lasting impact of formation cycling on the Li-ion kinetics between SEI and the Li-metal anode and its correlation with efficiency. Science Advances (2024).
3. Noninvasive In Situ NMR Study of “Dead Lithium” Formation and Lithium Corrosion in Full-Cell Lithium Metal Batteries. Journal of the American Chemical Society (2020).
4. Selective NMR observation of the SEI–metal interface by dynamic nuclear polarisation from lithium metal. Nature Communications (2020).
5. Rechargeable lithium-ion cell state of charge and defect detection by in-situ inside-out magnetic resonance imaging. Nature Communications (2018).