The effect of intrinsic strain on the thermal expansion behavior of Janus MoSSe nanotubes: a molecular dynamic simulation.

In this study, we conducted molecular dynamic simulations to investigate the thermal expansion behavior of Janus MoSSe nanotubes. We focused on understanding how the intrinsic strain in these nanotubes affects their thermal expansion coefficient (TEC). Interestingly, we found that Janus MoSSe nanotubes with sulfur (S) on the outer surface (MoSeS) exhibit a different intrinsic strain compared to those with selenium (Se) on the outer surface (MoSSe).

Effect of misfit strain on the thermal expansion coefficient of graphene/MoS van der Waals heterostructures.

Because of their advanced properties inherited from their constituent atomic layers, van der Waals heterostructures such as graphene/MoS are promising candidates for many optical and electronic applications. However, because heat tends to be generated during the operation of nanodevices, thermal expansion is an important phenomenon to consider for the thermal stability of such heterostructures. In the present work, molecular dynamics simulations are used to investigate the thermal expansion coefficient of the graphene/MoS heterostructure, and how the unavoidable misfit strain affects that coefficient is revealed.

Effect of misfit strain on the buckling of graphene/MoSvan der Waals heterostructures.

Van der Waals heterostructures inherit many novel electronic and optical properties from their constituent atomic layers. Mechanical stability is key for realizing high-performance nanodevices based on van der Waals heterostructures. However, buckling instability is a critical mechanical issue for heterostructures associated with its two-dimensional nature.

Tunable thermal expansion coefficient of transition-metal dichalcogenide lateral heterostructures.

The thermal expansion effect plays an important role in governing the thermal stability or the stable configuration of quasi-two-dimensional atomic layers, where the difference between the thermal expansion coefficient of different kinds of atomic layer in lateral heterostructure may cause strong thermal rippling of the atomic layer. We investigate the thermal expansion phenomenon in the WSe-MoS lateral heterostructure. We find that the thermal expansion coefficient can be enhanced by more than a factor of two via varying the ratio between the WSe and MoS components in the heterostructure.