Lateral periodicity in interfacial simulations produces diverging potential fluctuations that follow a Brownian bridge profile in finite cells, with amplitude inversely proportional to cell area.
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A macroscopic rate-equation formalism for reversible ionic aggregation kinetics is derived from the Smoluchowski equation and shows qualitative agreement with molecular dynamics simulations of a salt-in-ionic-liquid system.
A thermodynamic model of hydration and ion association in the EDL of WiSEs rationalizes expanded electrochemical stability windows via Nernst bulk activity and Butler-Volmer interface kinetics effects.
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Divergent Fluctuations from a 2D Infrared Catastrophe
Lateral periodicity in interfacial simulations produces diverging potential fluctuations that follow a Brownian bridge profile in finite cells, with amplitude inversely proportional to cell area.
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Reversible Ionic Aggregation Kinetics in Concentrated Electrolytes
A macroscopic rate-equation formalism for reversible ionic aggregation kinetics is derived from the Smoluchowski equation and shows qualitative agreement with molecular dynamics simulations of a salt-in-ionic-liquid system.
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Thermodynamic effects of solid electrolyte interphase formation from solvation and ionic association in water-in-salt electrolytes
A thermodynamic model of hydration and ion association in the EDL of WiSEs rationalizes expanded electrochemical stability windows via Nernst bulk activity and Butler-Volmer interface kinetics effects.