IONELECTRO

Molecular origins of electrochemical energy storage properties in lithium-ion batteries and supercapacitors

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 Obiettivo del progetto (Objective)

'The need for materials with improved electrochemical energy storage properties has become increasingly critical as society grapples with limited fossil fuel reserves and the threat of climate change. Lithium-ion batteries and supercapacitors are related energy storage systems that store energy electrochemically. Recently, researchers have shown that amorphous structures, defects, non-stoichiometric domains, interfaces between components, and surface modifications may play critical roles in their energy storage properties. However, such systems are difficult to characterize at a molecular level because such structural features lack long-range molecular order and are characterized by broad distributions. The objective of this project is to measure, understand, and control how specific molecular-level properties of complex, heterogeneous materials for lithium-ion batteries and supercapacitors affect their energy storage capabilities, charging/discharging rates, ion transport properties, chemical/structural stabilities, and cycle lifetimes. Molecular compositions, structures, interactions, and dynamics of the charge carriers and electrodes will be established by multi-dimensional, pulsed-field gradient, and in situ solid-state nuclear magnetic resonance (NMR) spectroscopy. Molecular insights from NMR will be correlated with macroscopic material, electrochemical, and device properties, yielding new understanding of their molecular origins. The results are expected to aid the rational design of novel lithium-ion batteries and supercapacitors with greater energy densities, power densities, and operational lifetimes. This project will strengthen the European Research Area’s excellence and competitiveness in materials for electrochemical energy storage. It will provide European scientists with powerful diagnostic tools to better understand the molecular origins of electrochemical energy storage properties in state-of-the-art electrode and electrolyte systems.'

Introduzione (Teaser)

Electrochemical energy storage devices will be critical to the future energy landscape and lithium-ion (Li-ion) batteries are leading the charge. Insight into the atomic-scale local Li environment will support rational design of improved batteries.

Descrizione progetto (Article)

Meeting the world's energy demands in a sustainable way and alleviating dependence on fossil fuel combustion is one of the most important challenges of the 21st century. Li-ion batteries are leading the charge in many ways. They have revolutionised consumer electronics, are quickly penetrating the electric car market and are set to dominate the grid energy storage sector.

The EU-funded project IONELECTRO (Molecular origins of electrochemical energy storage properties in lithium-ion batteries and supercapacitors) has shed important new light on atomic-scale mechanisms for rational design of improved Li-ion batteries. Structure is always inherently linked to function and it is no different for Li-ion batteries. However, amorphous structures and defects are difficult to analyse at the atomic or ion-transport level. Exploiting state-of-the-art and newly developed solid-state nuclear magnetic resonance (NMR) spectroscopy, scientists have revealed critical details about next-generation Li-ion battery electrode and electrolyte materials.

Researchers developed a novel NMR-based experimental approach to identify and characterise local Li structures and environments in Li-containing solids and atomic-scale defects in crystalline Li-ion battery electrodes. Scientists were able to reveal atomic-scale properties of Li in different environments with unprecedented detail for important outcomes.

In contrast to other techniques suggesting that a promising next-generation Li-ion battery electrode material (LiVPO4F) is very well crystallised, the new experiments demonstrated a large number of defects and their nature. Investigation of the origins of the defects and their impact on electrochemical properties are underway. Differences in the local Li environments were also found in two forms of another highly promising Li-ion battery electrode (Li2Fe(SO4)2).

Solid polymer electrolytes are non-flammable and generally safer than organic liquid electrolytes. Novel NMR techniques revealed new information regarding how ions diffuse over various time and length scales in different polymer electrolytes.

Understanding the electrochemical nature of Li-ion battery materials on the atomic scale is expected to aid scientists in their quest for rationally designed and thus significantly improved Li-ion battery electrodes and solid electrolytes. This in turn will be a valuable contribution to the future of the global energy map and reducing dependence on combustion of fossil fuels for the health of the planet.