The in-plane and out-of-plane thermal transport properties of the graphene–MoS₂ bilayer are investigated with several influencing factors being considered.

The pressure-driven water transport inside the nanochannel formed by GE bilayers is studied via molecular dynamics simulation. The effects of flow driving pressure and channel size, as well as interaction strength between the water molecules and the GE bilayer are investigated and understood by exploring the distribution of the water molecules, their average velocity, and the friction between them and the channel walls. Ultrafast water flow rate is observed and different channel size dependences of the water flow rate are discovered for weak and strong interaction strengths. The layered water structure inside the GE bilayer is found to play a significant role in influencing the water flow rate. This study is of significance for the design and application of GE-based nanomaterials in future nanofiltration and water purification technologies.

Molecular dynamics simulations based on many-body interatomic potentials are conducted to investigate the formation of unidirectional ripples in zigzag and armchair graphene nanoribbons with clamped edges under in-plane uniform strain. The ripple formation is found to be a result of buckling under in-plane membrane forces having compressive and tensile principle components. This study demonstrates that the amplitude and orientation of the unidirectional ripples can be controlled by a change in the components of the applied strain. The ripple wavelength is practically independent of the applied strain but increases with the increasing nanoribbon width. In the study of the temperature effect on strain-induced ripples it was found that with increase in temperature the degree of fluctuation of ripples increases. Ripples with larger formation energy are less affected by thermal fluctuations.