Fig. 5: In situ/operando DRIFTS spectra and DFT calculations of DRM reaction on 0.6% Ir/CeO2−x.

In situ/operando DRIFTS spectra over 0.6% Ir/CeO2−x at 700 °C after in-situ pretreatment and He purging, followed by exposure to: (a−d) first CH4 atmosphere, subsequent CH4 + CO2 and then CH4 atmosphere for 30 min, respectively; (e−h) first CO2 atmosphere, subsequent CO2 + CH4 and then CO2 atmosphere for 30 min, respectively. i Schematic illustration for DRM reaction at the interface of Ir/CeO2−x. Ir, green; Ce, yellow; C, gray; O, crimson; H, white. The inset shows potential energy profile of CH4 decomposition by Ir/CeO2−x(110). ‘TS’ represents a transition state. The black and orange numbers represent the adsorption energies and energy barriers of the elementary steps, respectively.