A new process to build 2D materials made possible by quantum calculations
Schematic illustrating the epitaxial growth of h-BN by chemical vapor deposition: a gaseous precursor (e.g. borazine, B3N3H6) is brought into contact with a (hot) catalyst surface (Ru), triggering the chemical reactions such as breaking of the borazine rings and dehydrogenation, followed by the assembly of the epitaxial overlayer. Credit: Nanoscale Horizons (2022). DOI: 10.1039/D2NH00353H

Scientists have discovered new phases of two-dimensional (2D) material that could be used to develop the next generation of fuel-cells.

One of the most promising 2D materials, hexagonal boron nitride (h-BN), which has a honeycomb crystal structure almost identical to that of the most famous 2D material, Graphene, was aided by the calculations.

The lead of the project from the University of Technology says that the research has the potential to be used for applications such as sensor materials. The work shows how fundamental physics and chemistry can be used to apply nanotechnology.

The process of growing ultra-thin 2D materials involves exposing a hot metal surface to a specific gas, which results in the gas decomposing on the metal and forming the desired 2D material. It is difficult to monitor the growth of 2D materials due to the hot temperatures.

There are other 2D surface structures that can be isolated before h-BN is formed.

The colleagues of Dr. Marco Sacchi have been able to understand that the ordered structures are made by regular holes. The role of these open structures during the growth of h-BN has been observed.

Experiments and quantum chemical calculations can provide new and important insight into the growth of 2D materials.

We plan to use our method for studying the growth of other 2D materials and we are working with international partners to find ways to accelerate the development of these promising materials.

According to Anthony Payne, co-author from the University of Surrey, "thesepores are unlike anything seen before and may open up a new generation of nanomaterials with exciting possibilities."

It's like discovering a completely new species of butterfly in your own garden if you find a new phase for such a well-known and technologically important 2D material.

It has been published in a journal.

More information: Adrian Ruckhofer et al, Evolution of ordered nanoporous phases during h-BN growth: controlling the route from gas-phase precursor to 2D material by in situ monitoring, Nanoscale Horizons (2022). DOI: 10.1039/D2NH00353H