Electro-lubrication in Janus transition metal dichalcogenide bilayers

Hao LI; Yufeng GUO; Wanlin GUO

doi:10.1007/s40544-021-0562-9

Friction 2022, 10(11): 1851-1858 https://doi.org/10.1007/s40544-021-0562-9

Research Article |

Open Access | Issue | Published: 06 March 2022

Electro-lubrication in Janus transition metal dichalcogenide bilayers

Show Author's Information Hide Author's Information Hao LI, Yufeng GUO(

), Wanlin GUO(

)

State Key Laboratory of Mechanics and Control of Mechanical Structures, MOE Key Laboratory for Intelligent Nano Materials and Devices, College of Aerospace Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China

Keywords:

first-principles calculations, Janus transition metal dichalcogenide (TMD), electro-lubrication, electric field tuning

Cite this article:

LI H, GUO Y, GUO W. Electro-lubrication in Janus transition metal dichalcogenide bilayers. Friction, 2022, 10(11): 1851-1858. https://doi.org/10.1007/s40544-021-0562-9

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Abstract

Lubrication induced by a vertical electric field or bias voltage is typically not applicable to two-dimensional (2D) van der Waals (vdW) crystals. By performing extensive first-principles calculations, we reveal that the interlayer friction and shear resistance of Janus transition metal dichalcogenide (TMD) MoXY (X/Y = S, Se, or Te, and X ≠ Y) bilayers under a constant normal force mode can be reduced by applying vertical electric fields. The maximum interlayer sliding energy barriers between AA and AB stacking of bilayers MoSTe, MoSeTe, and MoSSe decrease as the positive electric field increases because of the more significant counteracting effect from the electric field energy and the more significant enhancement in interlayer charge transfer in AA stacking. Meanwhile, the presence of negative electric fields decreases the interlayer friction of bilayer MoSTe, because the electronegativity difference between Te and S atoms reduces the interfacial atom charge differences between AA and AB stacking. These results reveal an electro-lubrication mechanism for the heterogeneous interfaces of 2D Janus TMDs.

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Electro-lubrication in Janus transition metal dichalcogenide bilayers

Show Author's information Hide Author's Information Hao LI, Yufeng GUO(

), Wanlin GUO(

)

Abstract

Keywords: first-principles calculations, Janus transition metal dichalcogenide (TMD), electro-lubrication, electric field tuning

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Publication history

Received: 30 July 2021

Revised: 27 September 2021

Accepted: 14 October 2021

Published: 06 March 2022

Issue date: November 2022

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (Nos. 11972186, 11890674, and 51921003), the Fundamental Research Funds for the Central Universities (No. NE2019001) of China, and the Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions.

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