RESEARCH / ■ THEME III · ONGOING

Electrolytes, confinement and ion transport

How does an ion shed its solvation shell to cross an interface, and what does the porous separator — long treated as an inert spacer — actually do to ion solvation and transport?

The same electrolyte behaves differently inside the separator: nanoconfinement promotes contact ion pairing and clustering, and conductivity falls sharply.

A separator is usually drawn as a passive porous sheet whose only job is to keep the electrodes apart while letting ions through. The spectroscopy says otherwise. Put the same electrolyte inside the pores and its speciation changes: contact ion pairs become far more prominent, a new carbonyl environment appears, and the conductivity drops by nearly an order of magnitude at concentrations where the bulk liquid is perfectly well behaved.

That reframes the separator as a chemical component with a designable surface, not a mechanical one. It also raises the question I most want to answer next. Everything above is bulk-confined measurement — it tells us what the ion’s environment looks like inside the pore, but not how fast the ion sheds that environment when it reaches the electrode. Desolvation is the rate-limiting step in interfacial charge transfer, and it is a dynamical quantity. Voltage-dependent surface-enhanced 2D IR is, as far as I can tell, the only route to measuring it directly.

Methods

  • Polarisation-resolved mid-IR pump–probe spectroscopy
  • Two-dimensional correlation spectroscopy
  • ATR-FTIR of confined electrolytes
  • Electrochemical impedance spectroscopy
  • Quantum-chemical band assignment

Publications in this theme

3 records → publications

Projects in this theme

  • Battery separators as active regulators of ion transport Testing whether the porous separator in a lithium-ion cell — normally treated as an inert spacer — changes the chemistry of the electrolyte inside it, using vibrational spectroscopy to resolve ion speciation under nanoconfinement. Ongoing
Why it matters
Battery performance is decided at molecular scale: how ions are solvated, how they shed that solvation at an interface, and how the charge carriers move. Vibrational spectroscopy resolves the speciation — free solvent, ion pairs, aggregates — and 2D IR time-resolves the picosecond exchange among them. Two gaps stand out: desolvation is a dynamical quantity that bulk studies cannot capture, and the separator has hardly been studied by molecular spectroscopy at all.
My contribution
I showed that the separator is an active participant. For LiPF₆ in diethyl carbonate, combining FTIR, 2D correlation analysis, IR pump–probe spectroscopy, quantum-chemical calculation and impedance measurements, I found that nanoconfinement inside a polypropylene separator restructures lithium solvation. I have also characterised lithium solvation and transport in ionic liquid–cosolvent electrolytes by mid-IR pump–probe spectroscopy.
What we found
Confinement in roughly 43 nm separator pores produces a new carbonyl signature near 1730 cm⁻¹ and markedly enhanced contact-ion-pair features in the PF₆⁻ stretching region, indicating increased ion pairing and clustering even at moderate 1–2 M salt concentrations — with a corresponding eightfold to ninefold suppression of ionic conductivity. The separator regulates electrolyte speciation rather than merely permitting transport through it.
Where it goes next
Measure lithium solvation-shell exchange directly at a working electrode by voltage-dependent surface-enhanced 2D IR, against a bulk 2D IR reference — testing whether the desolvation barrier shows up as a potential-dependent change in exchange rate. In parallel, vary separator surface chemistry and pore size, and extend to sodium, zinc and water-in-salt electrolytes, toward design rules that maximise free charge carriers.

Where this work was done

Other themes