Decoding 2D materials growth: Insights in white graphene open door to cleaner energy and more efficient electronics

A breakthrough in deciphering the growth process of the two-dimensional material hexagonal boron nitride (hBN) and its nanostructures on metal substrates could lead to more efficient, cleaner electronics, according to new research from a US university. This could pave the way for new energy solutions and greener chemical manufacturing. Sally was featured in the magazine “Small”.

Only one atom thick, hBN (often referred to as “white graphene”) is an ultra-thin, highly elastic material that blocks electrical current, withstands extreme temperatures, and resists chemical damage. Its unique versatility makes it an invaluable component in advanced electronics, protecting delicate microchips and enabling the development of faster and more efficient transistors.

Going a step further, the researchers also demonstrated the formation of nanoporous hBN. Nanoporous hBN is a novel material with structured pores that enable selective absorption, advanced catalysis, and functional enhancement, greatly expanding its potential environmental applications. This includes sensing and filtering pollutants as well as enhancing advanced energy systems such as hydrogen storage and electrochemical catalysts for fuel cells.

Dr Marco Sacchi, lead author of the study and Associate Professor in the School of Chemical Engineering at the University of Surrey, said: “Our research provides insight into the atomic-scale processes that govern the formation of this remarkable material and its nanostructures. By understanding these and leveraging mechanisms, we can design materials with unprecedented precision and optimize their properties for many innovative technologies. ”

In collaboration with Austria’s Graz University of Technology (TU Graz), a team led by Dr. Marco Sacchi combines density functional theory and microkinetic modeling, with theoretical work carried out by Dr. Anthony Payne and Dr. Neubi Xavier. The growth process of hBN from borazine precursor, diffusion, decomposition, adsorption and desorption, polymerization, and dehydrogenation.

This approach allowed us to develop an atomic-scale model that allows us to grow materials at any temperature.

The insights gained from the theoretical simulations are in close agreement with the experimental observations by the Graz research group and set the stage for controlled, high-quality hBN production with specific design and features.

“Previous studies did not take into account all these intermediates nor such a large parameter space (temperature and particle density),” said Dr. Anton Tamtoglu, principal investigator of the project at Graz University of Technology. We believe it will serve as a guide for chemical vapor deposition.” Growth of hBN on other metal substrates and synthesis of nanoporous or functionalized structures. ”