Atomic-Scale Dynamic Mechanisms of Embedded MoS2 Wires

Gyeong Hee Ryu,Gang Seob Jung,Jamie H. Warner

ACS NANO（2024）

Gyeongsang Natl Univ | Oak Ridge Natl Lab | Univ Texas Austin

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Abstract

Nanowires composed of a 1:1 stoichiometry of transition metals and chalcogen ions can be fabricated from two-dimensional transition metal dichalcogenides (TMDs) by using electron beam irradiation. Wires fabricated through in situ experiments can be geometrically connected to TMD sheets in various ways, and their physical properties can vary accordingly. Understanding the structural transformation caused by electron beams is critical for designing wire-sheet structures for nanoelectronics. In this study, we report the behavior of nanowires formed inside a monolayer MoS2 sheet by combining phase-contrast images and large-scale atomistic modeling. We investigate the effect of vacancies on the dynamic evolution of wires, such as rotations with different edge structures and breaking, by considering the interactions between MoS wires and MoS2 nanosheets. The obtained insights can be applied to other monolayer TMDs to guide the behavior of TMD wires and fabricate favorable geometries for various applications.

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Key words

MoS wire,MoS2 nanosheets,vacancy,TEM,DFT,Molecular Dynamics

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