Twisto-Electrochemical Activity Volcanoes in Trilayer Graphene.
J Am Chem Soc
; 146(23): 16105-16111, 2024 Jun 12.
Article
em En
| MEDLINE
| ID: mdl-38829312
ABSTRACT
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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MEDLINE
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En
Ano de publicação:
2024
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Article