This PDF file includes:

• Fig. S1. XRD patterns of vanadia/TiO₂ samples.
• Fig. S2. N₂ selectivity as a function of temperature in the feed gas of 500 ppm NO/500 ppm NH₃/5.0 vol % O₂/N₂ (200,000 hour⁻¹).
• Fig. S3. Effect of H₂O and SO₂ on NO_x conversion over the 1V/9STi catalyst at 350°C in the feed gas of 500 ppm NO/500 ppm NH₃/5.0 vol % O₂/N₂ (200,000 hour⁻¹).
• Fig. S4. DRIFT spectra of NH₃ and NO + O₂ adsorption on the vanadia/TiO₂ catalysts.
• Fig. S5. NMR spectra of vanadia/TiO₂ samples.
• Fig. S6. V 2p XPS spectra of vanadia/TiO₂ samples.
• Fig. S7. Models used in DFT calculations.
• Table S1. Relative surface atomic concentrations of vanadia/TiO₂ samples obtained from XPS.
• Table S2. N₂ physisorption results of vanadia/TiO₂ samples.
• Table S3. A comparison of reaction rates and TOFs between our catalyst and reported commercial catalysts for the SCR of NO with NH₃ at 200°C.
• Table S4. Vanadium valence distribution in vanadia/TiO₂ samples obtained from XPS.
• Table S5. NH₃-SCR de-NO_x reaction rate constants (k) at 493.15 K (220°C) over the monomeric and dimeric vanadia/TiO₂ surfaces.
• Table S6. DFT-calculated structural parameters and energy barriers (ΔE) for the formation of the first NH₂NO intermediate over the monomeric vanadia/TiO₂ surfaces (i.e., the A→C process in Figs. 2A and 3) with different computational settings.
• References (39–41)

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