Electronic Effects Drive Selectivity in CO₂ Reduction Catalysis by Heptacoordin

Catalytic selectivity data for cobalt complexes under electrochemical and photochemical conditions. The dataset likely contains results from DFT calculations and microkinetic modeling, supporting a study on ligand electronic tuning. It was authored by Federico Droghetti and last updated on 2026-05-21.

Use Cases

• Analyze catalyst selectivity trends based on ligand electronic properties mentioned in the description
• Validate DFT calculation predictions against experimental catalytic test results described
• Compare electrochemical versus photochemical syngas production outcomes referenced
• Study the relationship between metal-hydride formation thermodynamics and product selectivity discussed

Strengths

• Includes experimental selectivity percentages for three catalyst variants (82%, 55%, 87%)
• Contains data from both electrochemical and photochemical catalytic tests
• Supports findings with DFT calculations and microkinetic modeling as described

Limitations

• Column-level documentation is absent; field semantics must be inferred after download
• Row count is unknown, which may limit suitability assessment
• Description metadata is limited; actual data quality requires manual inspection after download

Provenance

Source

figshare

Collection Method

Likely contains experimental and computational results from a catalysis study.

Freshness

Last updated 2026-05-21 19:15:27; freshness should be verified