The buckling behavior of single-layer MoS2 sheets on silica substrates

Abstract

The buckling of a single-layer molybdenum disulfide (SLMoS2) sheet can strongly influence its stability and reliability of MoS2-based nanodevices. In the study, the buckling behavior of SLMoS2 sheets on the silica substrate is investigated by theoretical modeling and molecular dynamics simulation. The difference between the suspended and substrate-supported SLMoS2 sheets is compared. The effect of substrate surface morphology, including the groove and periodic surface microstructure substrate, on the buckling behavior is mainly focused. It is found that the critical strain increases significantly compared with the suspended SLMoS2 sheets due to the introduction of the underlying substrate. The evolution of SLMoS2 sheets on substrates with grooves contains two different paths depending on the groove height and the width. Additionally, both the period and effective contact area of the surface microstructure have direct impacts on the critical strain. The finding of buckling behavior of SLMoS2 sheets on substrates should be helpful for the design of MoS2-based flexible electronic devices.