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We investigated the effects of H₂ hindered rotation on ortho–para (o–p) H₂ conversion. To clarify the adsorption properties of H₂ on Ag(111), we performed first-principles calculations based on spin-polarized density functional theory (DFT) with DFT-D2 method. We calculated the wave functions of nuclei of H₂ from potential energy curves of H₂ on Ag(111). From these results, we found that non-negligible out-of-plane potential anisotropy with a perpendicular orientation preference exists even on non-corrugated Ag(111). We also clarified that o–p H₂ conversion is enhanced by H₂ hindered rotation on Ag(111). This enhancement is induced by electron transfer from the surface to H₂ with the perpendicular orientation preference.