132 citations · 726 across the 25 of their papers we have counts for
27 papers
RFBniCS: An open-source simulation framework for redox flow batteries
Amirhossein Aghabarari, Jørgen S. Dokken, Martin T. Horsch +2
We present RFBniCS, an open-source finite-element framework implemented in FEniCSx for simulating redox-flow-battery (RFB) half-cells. RFBniCS solves an established macro-homogeneo…
Modeling electrolytes in nanopores by Monte Carlo simulations and the Bazant--Storey--Kornyshev model
Nader Nekoubin, David Fertig, Dezső Boda +1
We study electrolyte-filled cylindrical nanopores through Monte Carlo (MC) simulations and the Bazant--Storey--Kornyshev model, for different ionic valencies, sizes, and bulk conce…
The impedance of a charged flat-plate electric double-layer capacitor
Adrian L. Usler, David Fertig, Mathijs Janssen
We calculate the impedance of a flat-plate electric double-layer (EDL) capacitor by means of Finite Element Method simulations of modified Poisson--Nernst--Planck equations. In Nyq…
Basic requirements for potential differences across solid--fluid interfaces
David Fertig, Adrian L. Usler, Mathijs Janssen
At model water--vapor and water--solid interfaces, molecular ordering leads to charge oscillations and, thereby, to a spatially varying electrostatic potential. Atomistic simulatio…
Faradaic and capacitive charging of an electrolyte-filled pore in response to a small applied potential
Timur Aslyamov, Massimiliano Esposito, Mathijs Janssen
Electrochemical devices often charge both through Faradaic reactions and electric double layer formation. Here, we study these coupled processes in a model system of a long electro…
Charging dynamics of electric double layer capacitors including beyond-mean-field electrostatic correlations
David Fertig, Mathijs Janssen
Electric double layer (EDL) formation underlies the functioning of supercapacitors and several other electrochemical technologies. Here, we study how the EDL formation near two fla…