Modeling the interaction of molybdenum species adsorbed on a pyrolytic graphite platform and correlations with XPS spectra at different ETAAS stages

124High-resolution XPS spectra of Mo 3d signal in different PGP regions. Temperature treatment: 600°C. Regions of PGP are shown in inset: (A) central region, (B) left border and (C) right border. Schematic representation of Mo species reduction (MoO4 → MoO3) on two adjacent E2 sites of the graphitic surface. The value of ΔEreact was evaluated with DFT calculations.