https://www.selleckchem.com/pr....oducts/protosappanin
A monolayer of water on the hydroxylated TiO2 surface increased the H2 dissociation activation barrier by ∼0.2 eV, in good agreement the difference in experimentally measured values. DFT calculations suggested H2 activation goes through a proton-coupled electron-transfer-like mechanism. During proton transfer to a basic support hydroxyl group, electron density is distributed through the gold nanorod and partially localized on the protonated support hydroxyl group. Water slows H2 activation by slowing this H+ transfer, forcing ne
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