Precision of Radiation Chemistry Networks: Playing Jenga with Kinetic Models for Liquid-Phase Electron Microscopy

Fritsch B, Malgaretti P, Harting J, Mayrhofer KJ, Hutzler A (2023)

Publication Type: Journal article

Publication year: 2023

Journal

Precision Chemistry American Chemical Society (ACS)

Book Volume: 1

Pages Range: 592-601

Journal Issue: 10

DOI: 10.1021/prechem.3c00078

Abstract

Liquid-phase transmission electron microscopy (LP-TEM) is a powerful tool to gain unique insights into dynamics at the nanoscale. The electron probe, however, can induce significant beam effects that often alter observed phenomena such as radiolysis of the aqueous phase. The magnitude of beam-induced radiolysis can be assessed by means of radiation chemistry simulations potentially enabling quantitative application of LP-TEM. Unfortunately, the computational cost of these simulations scales with the amount of reactants regarded. To minimize the computational cost, while maintaining accurate predictions, we optimize the parameter space for the solution chemistry of aqueous systems in general and for diluted HAuCl4 solutions in particular. Our results indicate that sparsened kinetic models can accurately describe steady-state formation during LP-TEM and provide a handy prerequisite for efficient multidimensional modeling. We emphasize that the demonstrated workflow can be easily generalized to any kinetic model involving multiple reaction pathways.

Authors with CRIS profile

Birk Fritsch
Jens Harting Professur für Multiskalen-Modellierung für kontrollierte Filmbildung (HIERN)

Involved external institutions

Helmholtz-Institut Erlangen-Nürnberg für Erneuerbare Energien (HI-ERN) DE Germany (DE) Forschungszentrum Jülich / Research Centre Jülich (FZJ) DE Germany (DE)

How to cite

APA:

Fritsch, B., Malgaretti, P., Harting, J., Mayrhofer, K.J., & Hutzler, A. (2023). Precision of Radiation Chemistry Networks: Playing Jenga with Kinetic Models for Liquid-Phase Electron Microscopy. Precision Chemistry, 1(10), 592-601. https://doi.org/10.1021/prechem.3c00078

MLA:

Fritsch, Birk, et al. "Precision of Radiation Chemistry Networks: Playing Jenga with Kinetic Models for Liquid-Phase Electron Microscopy." Precision Chemistry 1.10 (2023): 592-601.

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