2 papers
cond-mat.mtrl-sci2026
Revealing Hydroxide Ion Transport Mechanisms in Commercial Anion-Exchange Membranes at Nano-Scale from Machine-learned Interatomic Potential Simulations
Jonas Hänseroth, Muhammad Nawaz Qaisrani, Mostafa Moradi +2
Hydroxide ion transport in anion-exchange membranes fundamentally limits the efficiency of alkaline water electrolysis for green hydrogen production, yet the atomic-scale transport…
physics.comp-ph2025
Hydroxide Mobility in Aqueous Systems: Ab Initio Accuracy with Millisecond Timescales
Jonas Hänseroth, Daniel Sebastiani, Jakob Scholl +2
We present a multiscale simulation approach for hydroxide transport in aqueous solutions of potassium hydroxide, combining ab initio molecular dynamics (AIMD) simulations with forc…