Journal of the American Chemical Society· 2025Q1
Rationalizing the d-Band Model from Theory to Practice in Catalyst Design
- 95citations
- Q1SCImago
- 2025year
Short summary
A new perspective clarifies how strain and ligand effects modulate the metal d-band center, tuning catalytic performance, and introduces a flexible-band framework to account for variable d-band filling in real-world catalyst design.
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Renewable Energy, Sustainability and the EnvironmentEnergy