Twisto-electrochemical activity volcanoes in Trilayer Graphene
arXiv:2306.00028 · doi:10.1021/jacs.4c03464
Abstract
In this work, we develop a twist-dependent electrochemical activity map, combining a tight-binding electronic structure model with modified Marcus-Hush-Chidsey kinetics in trilayer graphene. We identify a counterintuitive rate enhancement region spanning the magic angle curve and incommensurate twists of the system geometry. We find a broad activity peak with a ruthenium hexamine redox couple in regions corresponding to both magic angles and incommensurate angles, a result qualitatively distinct from the twisted bilayer case. Flat bands and incommensurability offer new avenues for reaction rate enhancements in electrochemical transformations.
arXiv comment6 pages, 4 figures, Supporting Information
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