Mechanical properties of atomically thin boron nitride and the role of interlayer interactions.

Atomically thin boron nitride (BN) nanosheets are important two-dimensional nanomaterials with many unique properties distinct from those of graphene, but investigation into their mechanical properties remains incomplete. Here we report that high-quality single-crystalline mono- and few-layer BN nanosheets are one of the strongest electrically insulating materials. More intriguingly, few-layer BN shows mechanical behaviours quite different from those of few-layer graphene under indentation. In striking contrast to graphene, whose strength decreases by more than 30% when the number of layers increases from 1 to 8, the mechanical strength of BN nanosheets is not sensitive to increasing thickness. We attribute this difference to the distinct interlayer interactions and hence sliding tendencies in these two materials under indentation. The significantly better interlayer integrity of BN nanosheets makes them a more attractive candidate than graphene for several applications, for example, as mechanical reinforcements.

Raman signature and phonon dispersion of atomically thin boron nitride.

Raman spectroscopy has become an essential technique to characterize and investigate graphene and many other two-dimensional materials. However, there is still a lack of consensus on the Raman signature and phonon dispersion of atomically thin boron nitride (BN), which has many unique properties distinct from graphene. Such a knowledge gap greatly affects the understanding of the basic physical and chemical properties of atomically thin BN as well as the use of Raman spectroscopy to study these nanomaterials. Here, we use both experiment and simulation to reveal the intrinsic Raman signature of monolayer and few-layer BN. We find experimentally that atomically thin BN without interaction with a substrate has a G band frequency similar to that of bulk hexagonal BN (hBN), but strain induced by the substrate can cause a pronounced Raman shift. This is in excellent agreement with our first-principles density functional theory (DFT) calculations at two levels of theory, including van der Waals dispersion forces (opt-vdW) and a fraction of the exact exchange from Hartree-Fock (HF) theory through the hybrid HSE06 functional. Both calculations demonstrate that the intrinsic E2g mode of BN does not depend sensibly on the number of layers. Our simulations also suggest the importance of the exact exchange mixing parameter in calculating the vibrational modes in BN, as it determines the fraction of HF exchange included in the DFT calculations.