DFT investigations for the catalytic reaction mechanism of methane combustion occurring on Pd( ii )/Al-MCM-41

Anis Gannouni (1) , Carine Michel (2) , Françoise Delbecq (2) , Mongia Said Zina (1) , Philippe Sautet (3)

1 Laboratoire de Chimie des Matériaux et Catalyse
2 LC - Laboratoire de Chimie - UMR5182
3 UCLA - University of California [Los Angeles]

Domaines: Chimie théorique et/ou physique; Catalyse

Anis Gannouni, Carine Michel, Françoise Delbecq, Mongia Said Zina, Philippe Sautet. DFT investigations for the catalytic reaction mechanism of methane combustion occurring on Pd( ii )/Al-MCM-41. Physical Chemistry Chemical Physics, 2018, 20, pp.25377-25386. ⟨10.1039/C8CP04178D⟩. ⟨hal-01889799⟩