Computational Modelling — From Low-to High-Crystallinity Bimetal-Organic Framework Nanosheet with Highly Exposed Boundaries: An Efficient and Stable Electrocatalyst for Oxygen Evolution Reaction

Measurement evidence

Computational Modelling

From Low-to High-Crystallinity Bimetal-Organic Framework Nanosheet with Highly Exposed Boundaries: An Efficient and Stable Electrocatalyst for Oxygen Evolution Reaction · Xu J., Zhu X., Jia X. · ACS Sustainable Chemistry and Engineering · 2019 · 16629-16639

1 measurement group · 3 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

COMSOL Multiphysics; Gouy-Chapman-Stern model; Nernst-Planck-Poisson equations

(U+S)-CoFe-MOF COMSOL model electrode · Model

1.0 M KOH; diffusion coefficients K+ = 1.95e-9 m2 s-1 and OH- = 5.27e-9 m2 s-1; electrode voltage 1.3 V.

Geometry: Hierarchical porous MOF surface and smooth microporous comparison model
Context: model of target electrode
Measurement source: 3,9 · COMSOL Calculation; Results and Discussion · Figure 7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
OH- concentration enrichment at boundary edgesMarked as a best value within this paper	around 160 times higher than electrolyte solution	—	around	Text Approximate	9 · Results and Discussion · Figure 7c
COMSOL diffusion coefficients	K+ 1.95e-9 m2 s-1; OH- 5.27e-9 m2 s-1	—	—	Text Exact Reported	3 · COMSOL Calculation
COMSOL electrode voltage	1.3 V	—	—	Text Exact Reported	3 · COMSOL Calculation