4.8 Article

Nonmonotonic Effects of Atomic Vacancy Defects on Friction

Journal

ACS APPLIED MATERIALS & INTERFACES
Volume 15, Issue 38, Pages 45455-45464

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acsami.3c09257

Keywords

MoTe2; vacancy; defect; friction; phase transition; friction modulation

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This study demonstrates the nonmonotonic effect of Te vacancy defects on the friction of MoTe2. Increasing Te vacancy density leads to an overall increase in friction force, but the variation is nonmonotonic. The change in the maximum sliding energy barrier and uneven charge distribution are the main factors contributing to this effect.
The presence of defects such as vacancies has a significant impact on the frictional properties of 2D materials that are excellent solid lubricants. In this study, we demonstrate that the nonmonotonic effect of Te vacancy defects on the friction of MoTe2 is related to the change in the maximum sliding energy barrier due to the variation in tip position. The experimental results of atomic force microscopy suggest that the friction shows an overall increasing trend with the increase in Te vacancy density, but this variation is nonmonotonic. Molecular dynamics simulations show that the increase in friction force with defect density can be attributed to the large and more sliding energy barriers that the tip has to overcome. Furthermore, the nonmonotonic variation of friction with defect density is dominated by the change of the maximum sliding potential barrier caused by the variation of tip position perpendicular to the sliding direction during the sliding process. Additionally, the uneven charge distribution due to charge transfer occurring at the defect also contributes to the increase in friction. This work shows the mechanism of the effect of Te vacancy defects on the friction of MoTe2, which provides guidance for the modulation of the frictional properties of solid lubricants.

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