Markov State Models for Hydrogen Dynamics on Rhodium Nanoparticles

68.3 KB of data from figshare, last updated April 17, 2026. Caitlin A. McCandler created Markov state models to analyze hydrogen dynamics on rhodium catalysts with slab and nanoparticle geometries. The models track reaction dynamics over a range of hydrogen surface concentrations.

Use Cases

• Analyzing hydrogen association/dissociation rates on nanoparticle features like corners and edges
• Investigating the nonmonotonic concentration dependence of rates due to hydrogen-hydrogen interactions
• Coarse-graining molecular dynamics simulation data of catalytic processes
• Comparing kinetic processes on slab versus nanoparticle catalyst geometries

Strengths

• Data is licensed under CC-BY-NC-4.0, allowing for non-commercial reuse and sharing.
• The description provides a specific scientific context: hydrogen dynamics on rhodium catalysts.
• Platform tags include specific technical domains like 'Rhodium Nanoparticles' and 'Markov State Models'.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is 68.3 KB, indicating a very limited scope.

Provenance

Source

figshare

Collection Method

Likely generated from molecular dynamics simulations using machine-learned interatomic potentials.

Freshness

Last updated 2026-04-17 03:04:10; freshness should be verified.