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Metal Ammonia Solutions, Shape and Interactions Varied through the Electrolyte-to-Metal transition

Project description

The Physics of the Golden Transition

For centuries, metals seemed well understood, yet the transition of alkali metals in ammonia solutions – from a non-metallic blue to a metallic gold phase – remains a mystery. Current scientific models fail to explain this gradual shift or the strange ‘flipping’ between states seen in recent simulations. Supported by the Marie Skłodowska-Curie Actions programme, the MASSIVE project aims to decode this ‘Golden Transition’ by developing a shape-analysis toolkit and new quantum metrics to track the distribution and motion of solvated electrons. By providing an atomistic perspective, MASSIVE seeks to uncover new physical laws and bridge the gap between theory and experimental data. Resolving this mystery may advance our knowledge of metallic behaviour, potentially transforming the design of future batteries and solar cells.

Objective

Metals have been a well understood part of our world long before modern chemistry existed and our knowledge of metals has advanced since then. This would suggest that there exists a clear, atomic-level description of metallicity. However, the behavior of alkali metal in ammonia solutions demonstrates that our understanding is incomplete. This system creates solvated electrons, an electron stabilized in a void between molecules. The system exhibits a striking change from a non-metallic blue to a metallic gold phase. Similar transitions exist but none of these models fit the transition due to the gradual change observed in comparison with the rapid change predicted. Recent work has observed a rapid flipping between states in simulations never before seen and which cannot yet be explained. Therefore, transition has direct applications to our understanding of systems like batteries and solar cells, constitutes a critical gap in the fundamental understanding of metals, and suggests there may be new physics to be discovered.
I will systematically study this transition using a variety of new, tailored methods, creating a comprehensive shape analysis package while also adding several metrics designed specifically for studying the solvated electron. This will provide a deep understanding of the electron’s distribution and movement, providing ample data for understanding whatever new physics are at play in the transition. These metrics build on my past work, making me uniquely suited to lead this project, while including many new innovations to suit the quantum system. This work represents the comprehensive study of the transition to date and will determine a mechanism for the transition from an atomistic perspective, serving as the perfect companion to current efforts from the Jungwirth lab to approach the problem from an experimental perspective. This project will round out my expertise, build my publication record and significantly advance my career.

Fields of science (EuroSciVoc)

Keywords

Programme(s)

Topic(s)

Funding Scheme

HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships

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Call for proposal

(opens in new window) HORIZON-MSCA-2025-PF

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Coordinator

USTAV ORGANICKE CHEMIE A BIOCHEMIE, AV CR, V.V.I.
Net EU contribution
€ 191 918,16
Address
FLEMINGOVO NAM. 542/2
166 10 PRAHA 6
Czechia
Region
Česko Praha Hlavní město Praha
Activity type
Research Organisations
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Total cost
No data