Abstract
In this work, we use experimental and theoretical techniques to study the origin of the boosted hydrogen evolution reaction (HER) catalytic activity of two pyridyl-pyrrolidine functionalized C60 fullerenes. Notably, the mono-(pyridyl-pyrrolidine) penta-adduct of C60 has exhibited a remarkable HER catalytic activity as a metal-free catalyst, delivering an overpotential (η10) of 75 mV vs. RHE and a very low onset potential of -45 mV vs. RHE. This work addresses fundamental questions about how functionalization on C60 changes the electron density on fullerene cages for high-performance HER electrocatalysis.
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