Improving the Accuracy of Atomistic Simulations of the Electrochemical Interface.
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DOI: 10.1021/acs.chemrev.1c00800
Abstract: Atomistic simulation of the electrochemical double layer is an ambitious undertaking, requiring quantum mechanical description of electrons, phase space sampling of liquid electrolytes, and equilibration of electrolytes over nanosecond time scales. All models of electrochemistry… read more here.
Keywords: accuracy atomistic; electrochemistry; interface; improving accuracy ... See more keywords
Microscopic Simulations of Electrochemical Double-Layer Capacitors
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DOI: 10.1021/acs.chemrev.1c00925
Abstract: Electrochemical double-layer capacitors (EDLCs) are devices allowing the storage or production of electricity. They function through the adsorption of ions from an electrolyte on high-surface-area electrodes and are characterized by short charging/discharging times and long… read more here.
Keywords: double layer; electrochemical double; microscopic simulations; layer capacitors ... See more keywords