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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
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spelling 2025-10-30T12:21:42.0136999 v2 70453 2025-09-22 Moiré Lattice of Twisted Bilayer Graphene as Template for Non‐Covalent Functionalization 8fd99815709ad1e4ae52e27f63257604 0000-0002-7913-0953 Roland Gillen Roland Gillen true false 2025-09-22 ACEM 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. Journal Article Angewandte Chemie 137 2 Wiley 0044-8249 1521-3757 2D materials; Density functional calculations; Functionalization; Graphene; Raman spectroscopy 10 1 2025 2025-01-10 10.1002/ange.202414593 COLLEGE NANME Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM Swansea University Other Deutsche Forschungsgemeinschaft (DFG) - German Research Foundation. Grant Numbers: 447264071, 182849149, 440719683. 2025-10-30T12:21:42.0136999 2025-09-22T12:45:19.3293210 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering Tobias Dierke 0000-0003-0002-5171 1 Stefan Wolff 0000-0002-4755-1729 2 Roland Gillen 0000-0002-7913-0953 3 Jasmin Eisenkolb 0009-0002-6334-1454 4 Tamara Nagel 0000-0002-8551-067x 5 Sabine Maier 0000-0001-9589-6855 6 Milan Kivala 0000-0002-4960-4636 7 Frank Hauke 0000-0001-9637-7299 8 Andreas Hirsch 0000-0003-1458-8872 9 Janina Maultzsch 0000-0002-6088-2442 10 70453__35502__6feae7d292e4440eb84dd1e0966c3382.pdf 70453.VoR.pdf 2025-10-30T12:19:13.3733000 Output 3811841 application/pdf Version of Record true © 2024 The Author(s). This is an open access article under the terms of the Creative Commons Attribution License. true eng http://creativecommons.org/licenses/by/4.0/
title Moiré Lattice of Twisted Bilayer Graphene as Template for Non‐Covalent Functionalization
spellingShingle Moiré Lattice of Twisted Bilayer Graphene as Template for Non‐Covalent Functionalization
Roland Gillen
title_short Moiré Lattice of Twisted Bilayer Graphene as Template for Non‐Covalent Functionalization
title_full Moiré Lattice of Twisted Bilayer Graphene as Template for Non‐Covalent Functionalization
title_fullStr Moiré Lattice of Twisted Bilayer Graphene as Template for Non‐Covalent Functionalization
title_full_unstemmed Moiré Lattice of Twisted Bilayer Graphene as Template for Non‐Covalent Functionalization
title_sort Moiré Lattice of Twisted Bilayer Graphene as Template for Non‐Covalent Functionalization
author_id_str_mv 8fd99815709ad1e4ae52e27f63257604
author_id_fullname_str_mv 8fd99815709ad1e4ae52e27f63257604_***_Roland Gillen
author Roland Gillen
author2 Tobias Dierke
Stefan Wolff
Roland Gillen
Jasmin Eisenkolb
Tamara Nagel
Sabine Maier
Milan Kivala
Frank Hauke
Andreas Hirsch
Janina Maultzsch
format Journal article
container_title Angewandte Chemie
container_volume 137
container_issue 2
publishDate 2025
institution Swansea University
issn 0044-8249
1521-3757
doi_str_mv 10.1002/ange.202414593
publisher Wiley
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering
document_store_str 1
active_str 0
description 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.
published_date 2025-01-10T05:27:25Z
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score 11.090091

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