Exploring dynamics in single atom catalyst research: A comprehensive DFT-kMC study of nitrogen reduction reaction with focus on TM aggregation

Autor: Lee, Chi Ho, Pahari, Silabrata, Barteau, Mark A., Kwon, Joseph Sang-Il
Zdroj: In Applied Catalysis B: Environment and Energy 5 December 2024 358
Databáze: ScienceDirect