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Nitrate Electroreduction Activation on Platinum
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DOI：10.1021/acscatal.4c00919.png)
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摘要
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Nitrate electroreduction on Pt(111) and Pt(100) cannot evolve from bidentate adsorbed nitrate perpendicular to the surface, as it is generally assumed, because the only plausible next step in the mechanism, a proton-coupled electron transfer (PCET), invariably results in its desorption as nitric acid. However, nitrate can also be adsorbed on platinum in a tridentate configuration parallel to the surface, involving the nitrogen atom, although only on Pt(100). From this tridentate state, one of the surface-bound oxygen groups can be favorably cleaved from nitrate either before or after a PCET. By focusing on triatomic active sites and nitrogen instead of oxygen as a key requirement for activation, and by exposing the competition between nitrate adsorption modes, these results allow deriving catalyst optimization strategies.
Keyword:
Nitrate electroreduction
platinum electrodes
surface structure sensitivity
nitrate activation
DFT calculations