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Crucial role of coadsorption, surface defects and subsurface space-charge on the surface chemistry of oxides is demonstrated by first-principles calculations.

Interplay between H2O and CO2 coadsorption and space-charge on Y-doped BaZrO3 surfaces

Interplay between H₂O and CO₂ coadsorption and space-charge on Y-doped BaZrO₃ surfaces