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Twisto-electrochemical activity volcanoes in Trilayer Graphene

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arxiv 2306.00028 v1 pith:TWPJ2JCU submitted 2023-05-31 cond-mat.mes-hall cond-mat.mtrl-sciphysics.chem-ph

Twisto-electrochemical activity volcanoes in Trilayer Graphene

Mohammad Babar , Ziyan Zhu , Rachel Kurchin , Efthimios Kaxiras , Venkatasubramanian Viswanathan This is my paper
classification cond-mat.mes-hall cond-mat.mtrl-sciphysics.chem-ph
keywords activityangleselectrochemicalgrapheneincommensuratemagicratetrilayer
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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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.

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