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Moiré Lattice of Twisted Bilayer Graphene as Template for Non‐Covalent Functionalization

Tobias Dierke Orcid Logo, Stefan Wolff Orcid Logo, Roland Gillen Orcid Logo, Jasmin Eisenkolb Orcid Logo, Tamara Nagel Orcid Logo, Sabine Maier Orcid Logo, Milan Kivala Orcid Logo, Frank Hauke Orcid Logo, Andreas Hirsch Orcid Logo, Janina Maultzsch Orcid Logo

Angewandte Chemie, Volume: 137, Issue: 2

Swansea University Author: Roland Gillen Orcid Logo

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DOI (Published version): 10.1002/ange.202414593

Abstract

We present a novel approach to achieve spatial variations in the degree of non-covalent functionalization of twisted bilayer graphene (tBLG). The tBLG with twist angles varying between ~5° and 7° was non-covalently functionalized with 1,4,5,8,9,11-hexaazatriphenylenehexacarbonitrile (HATCN) molecule...

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Published in: Angewandte Chemie
ISSN: 0044-8249 1521-3757
Published: Wiley 2025
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URI: https://cronfa.swan.ac.uk/Record/cronfa70453
Abstract: We present a novel approach to achieve spatial variations in the degree of non-covalent functionalization of twisted bilayer graphene (tBLG). The tBLG with twist angles varying between ~5° and 7° was non-covalently functionalized with 1,4,5,8,9,11-hexaazatriphenylenehexacarbonitrile (HATCN) molecules. Our results show a correlation between the degree of functionalization and the twist angle of tBLG. This correlation was determined through Raman spectroscopy, where areas with larger twist angles exhibited a lower HATCN peak intensity compared to areas with smaller twist angles. We suggest that the HATCN adsorption follows the moiré pattern of tBLG by avoiding AA-stacked areas and attach predominantly to areas with a local AB-stacking order of tBLG, forming an overall ABA-stacking configuration. This is supported by density functional theory (DFT) calculations. Our work highlights the role of the moiré lattice in controlling the non-covalent functionalization of tBLG. Our approach can be generalized for designing nanoscale patterns on two-dimensional (2D) materials using moiré structures as a template. This could facilitate the fabrication of nanoscale devices with locally controlled varying chemical functionality.
Keywords: 2D materials; Density functional calculations; Functionalization; Graphene; Raman spectroscopy
College: Faculty of Science and Engineering
Funders: Deutsche Forschungsgemeinschaft (DFG) - German Research Foundation. Grant Numbers: 447264071, 182849149, 440719683.
Issue: 2