Moiré band structure engineering using a twisted boron nitride substrate
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Kaxiras, Efthimios
Publications and source records attributed to Kaxiras, Efthimios.
Twisto-Electrochemical Activity Volcanoes in Trilayer Graphene
In this work, we develop a twist-dependent electrochemical activity map, combining a low-energy continuum 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 in 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.
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