Abstract

The control of the density and type of line defects on two-dimensional (2D) materials enable the development of new methods to tailor their physical and chemical properties. In particular, mirror twin boundaries (MTBs) on transition metal dichacogenides have attracted much interest due to their metallic state with charge density wave transition and spin-charge separation property. In this work, we demonstrate the self-assembly of 2,3-diaminophenazine (DAP) molecule porous structure with alternate L-type and T-type aggregated configurations on the MoSe2 hexagonal wagon-wheel pattern surface. This site-specific molecular self-assembly is attributed to the more chemically reactive metallic MTBs compared to the pristine semiconducting MoSe2 domains. First-principles calculations reveal that the active MTBs couple with amino groups in the DAP molecules facilitating the DAP assembly. Our results demonstrate the site-dependent electronic and chemical properties of MoSe2 monolayers, which can be exploited as a natural template to create ordered nanostructures.

Highlights

  • The control of the density and type of line defects on two-dimensional (2D) materials enable the development of new methods to tailor their physical and chemical properties

  • As one of the most common defects, grain boundaries (GBs), have been widely observed in monolayer transition metal dichalcogenides (TMDs) synthesised by bottom-up approaches such as chemical vapour deposition (CVD) and molecular beam epitaxy (MBE)[7,8,9,10]

  • Dense mirror twin boundaries (MTBs) networks are observed in MBE-grown MoSe2 or MoTe2 monolayers on graphene or MoS2 surfaces, and their atomic structures and electronic properties have been investigated by scanning probe microscopy and photoemission spectroscopy[15,16]

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Summary

Introduction

The control of the density and type of line defects on two-dimensional (2D) materials enable the development of new methods to tailor their physical and chemical properties. This work elucidates the atomic structures and electronic properties of MTBs in single-layer (SL) MoSe2 grown on graphite, and investigates their chemical reactivity with organic molecules. Using a combination of ultrahigh vacuum scanning tunnelling microscopy/spectroscopy (STM/STS) and non-contact atomic force microscopy (nc-AFM) techniques, we image the electronic modulations in the (quasi) periodic MTB structures, revealing their metallic nature and lower surface potential (work function).

Results
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