AB-stacked nanosheet-based hexagonal boron nitride

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2021 Apr 1;77(Pt 2):260-265. doi: 10.1107/S2052520621000317. Epub 2021 Mar 17.

Abstract

Hexagonal boron nitride (h-BN) has been generally interpreted as having an AA stacking sequence. Evidence is presented in this article indicating that typical commercial h-BN platelets (∼10-500 nm in thickness) exhibit stacks of parallel nanosheets (∼10 nm in thickness) predominantly in the AB sequence. The AB-stacked nanosheet occurs as a metastable phase of h-BN resulting from the preferred texture and lateral growth of armchair (110) planes. It appears as an independent nanosheet or unit for h-BN platelets. The analysis is supported by simulation of thin AB films (2-20 layers), which explains the unique X-ray diffraction pattern of h-BN. With this analysis and the role of pressure in commercial high-pressure high-temperature sintering (driving nucleation and parallelizing the in-plane crystalline growth of the nuclei), a growth mechanism is proposed for 2D h-BN (on a substrate) as `substrate-induced 2D growth', where the substrate plays the role of pressure.

Keywords: AB stacking; hexagonal boron nitride; high-resolution transmission electron microscopy; simulation.