AA2 – Materials, Light, Devices

Project

AA2-6

Modeling and Simulation of multi-material electrocatalysis (MultECat)

Project Heads

Jürgen Fuhrmann, Manuel Landstorfer

Project Members

Rüdiger Müller (WIAS) 

Project Duration

01.01.2019 – 31.12.2020

Located at

WIAS

Description

The project goals are continuum models for electrocatalysis at the nanometer-micrometer scale coupling reactions on catalytic interfaces, reactant transport in electrolytes and charge transport in catalyst substrates. Implementation into numerical simulation tools will support the interpretation of electrochemical measurements.

Selected Publications

[1] J. Fuhrmann, M. Landstorfer, and R. Müller, “Modeling polycrystalline electrode-electrolyte interfaces: The differential capacitance.” Journal of the Electrochemical Society, 2020.

[2] W. Dreyer, C. Guhlke, and R. Müller, “Overcoming the shortcomings of the Nernst–Planck model,” PCCP, vol. 15, no. 19, pp. 7075–7086, 2013.

[3] W. Dreyer, C. Guhlke, and M. Landstorfer, “A mixture theory of electrolytes containing solvation effects,” Electrochemistry Communications, vol. 43, pp. 75–78, 2014.

[4] M. Landstorfer, C. Guhlke, and W. Dreyer, “Theory and structure of the metal-electrolyte interface incorporating adsorption and solvation effects,” Electroch. Acta, vol. 201, pp. 187–219, 2016.

[5] M. Landstorfer, “Boundary conditions for electrochemical interfaces,” Journal of The Electrochemical Society, vol. 164, no. 11, pp. E3671–E3685, 2017.

[6] J. Fuhrmann, “A numerical strategy for Nernst-Planck systems with solvation effect,” Fuel cells, vol. 16, no. 6, pp. 704–714, 2016. DOI: 10.1002/fuce.201500215.

[7] C. Cancès, C. Chainais-Hillairet, J. Fuhrmann, and B. Gaudeul, “A numerical analysis focused comparison of several Finite Volume schemes for an Unipolar Degenerated Drift-Diffusion Model,” IMA J. Numer. Anal., 2020.

Selected Pictures

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