Twisto-electrochemical activity volcanoes in Trilayer Graphene
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arXiv
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| Main Authors: | , , , , |
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| Format: | Preprint |
| Published: |
2023
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| _version_ | 1866914838627745792 |
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| author | Babar, Mohammad Zhu, Ziyan Kurchin, Rachel Kaxiras, Efthimios Viswanathan, Venkatasubramanian |
| author_facet | Babar, Mohammad Zhu, Ziyan Kurchin, Rachel Kaxiras, Efthimios Viswanathan, Venkatasubramanian |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2306_00028 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Twisto-electrochemical activity volcanoes in Trilayer Graphene Babar, Mohammad Zhu, Ziyan Kurchin, Rachel Kaxiras, Efthimios Viswanathan, Venkatasubramanian Mesoscale and Nanoscale Physics Materials Science Chemical Physics 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. |
| title | Twisto-electrochemical activity volcanoes in Trilayer Graphene |
| topic | Mesoscale and Nanoscale Physics Materials Science Chemical Physics |
| url | https://arxiv.org/abs/2306.00028 |