Twisto-Electrochemical Activity Volcanoes in Trilayer Graphene

被引：4

作者：

Babar, Mohammad ^{[1
]}

Zhu, Ziyan ^{[2
]}

Kurchin, Rachel ^{[4
]}

Kaxiras, Efthimios ^{[3
]}

Viswanathan, Venkatasubramanian ^{[5
]}

机构：

[1] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA

[2] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA

[3] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA

[4] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA

[5] Univ Michigan, Dept Aerosp Engn, Ann Arbor, MI 48109 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2024年 / 146卷 / 23期

关键词：

ELECTRON-TRANSFER KINETICS; DENSITY-FUNCTIONAL THEORY; TEMPERATURE-DEPENDENCE; OXYGEN REDUCTION; VOLTAMMETRY; GRAPHITE; INNER; CAPACITANCE; MECHANISMS; ADSORPTION;

D O I：

10.1021/jacs.4c03464

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：16105 / 16111

页数：7

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