2021
DOI: 10.48550/arxiv.2104.01157
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Real-time visualization of metastable charge regulation pathways in molecularly confined slit geometries

Abstract: Transport of ions in molecular-scale confined spaces is central to all aspects of life and technology: into a crack, it may break steel within days; through a membrane separator, it determines the efficiency of electrochemical energy conversion devices; or through lipid membranes, it steers neural communication. Yet, the direct observation of ion mobility and structuring in sub-nanometer confinement is experimentally challenging and, so far, solely accessible to molecular simulations. Here, we show quantitativ… Show more

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“…We thank Hsiu-Wei Cheng and Valentina Wieser for their preliminary SFA experiments that informed the refinement of the optimal experimental parameters and theoretical interpretations. 69 We thank Julian Pichler for his support with visualisation of MD simulations. All simulations were carried out using high performance computing facilities in Austria, hence we acknowledge the Vienna Scientific Cluster (VSC).…”
mentioning
confidence: 99%
“…We thank Hsiu-Wei Cheng and Valentina Wieser for their preliminary SFA experiments that informed the refinement of the optimal experimental parameters and theoretical interpretations. 69 We thank Julian Pichler for his support with visualisation of MD simulations. All simulations were carried out using high performance computing facilities in Austria, hence we acknowledge the Vienna Scientific Cluster (VSC).…”
mentioning
confidence: 99%