# Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide

## TL;DR

This study reports the observation and computational analysis of atomically thin SiC nanograins assembling in graphene oxide pores, predicting stable flat 2D-SiC with promising properties for future 2D material applications.

## Contribution

It provides the first experimental observation of SiC nanograin assembly and computational insights into the structure, stability, and reactivity of 2D-SiC, advancing the understanding of this predicted material.

## Key findings

- Observed SiC nanograin assembly in graphene oxide pores.
- Predicted flat 2D-SiC as the most stable morphology.
- Identified potential for stable van der Waals bilayers with graphene or hBN.

## Abstract

While an increasing number of two-dimensional (2D) materials, including graphene and silicene, have already been realized, others have only been predicted. An interesting example is the two-dimensional form of silicon carbide (2D-SiC). Here, we present an observation of atomically thin and hexagonally bonded nanosized grains of SiC assembling temporarily in graphene oxide pores during an atomic resolution scanning transmission electron microscopy experiment. Even though these small grains do not fully represent the bulk crystal, simulations indicate that their electronic structure already approaches that of 2D-SiC. This is predicted to be flat, but some doubts have remained regarding the preference of Si for sp$^{3}$ hybridization. Exploring a number of corrugated morphologies, we find completely flat 2D-SiC to have the lowest energy. We further compute its phonon dispersion, with a Raman-active transverse optical mode, and estimate the core level binding energies. Finally, we study the chemical reactivity of 2D-SiC, suggesting it is like silicene unstable against molecular absorption or interlayer linking. Nonetheless, it can form stable van der Waals-bonded bilayers with either graphene or hexagonal boron nitride, promising to further enrich the family of two-dimensional materials once bulk synthesis is achieved.