Controlling Nanoscale Thermal Expansion of Monolayer Transition Metal Dichalcogenides by Alloy Engineering

Small. 2020 Jan;16(3):e1905892. doi: 10.1002/smll.201905892. Epub 2019 Dec 12.

Abstract

2D materials, such as transition metal dichalcogenides (TMDs), graphene, and boron nitride, are seen as promising materials for future high power/high frequency electronics. However, the large difference in the thermal expansion coefficient (TEC) between many of these 2D materials could impose a serious challenge for the design of monolayer-material-based nanodevices. To address this challenge, alloy engineering of TMDs is used to tailor their TECs. Here, in situ heating experiments in a scanning transmission electron microscope are combined with electron energy-loss spectroscopy and first-principles modeling of monolayer Mo1- x Wx S2 with different alloying concentrations to determine the TEC. Significant changes in the TEC are seen as a function of chemical composition in Mo1- x Wx S2 , with the smallest TEC being reported for a configuration with the highest entropy. This study provides key insights into understanding the nanoscale phenomena that control TEC values of 2D materials.

Keywords: alloys; electron energy-loss spectroscopy; scanning transmission electron microscopy; thermal expansion coefficient; transition metal dichalcogenides.