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, “What leads to direct epoxidation? an exhaustive DFT investigation of electrophilic oxygen mediated epoxidation of ethylene on Ag(100)”, Computational Materials Science , vol. 239, 2024.
, “When facets meet impurities: Trace gas dominance over CO2 adsorption on ZnO”, Applied Surface Science, vol. 729, p. 166151, 2026.