Beyond geometrical screening in predicting two-dimensional materials

TL;DR

This paper reviews the current state of predicting two-dimensional materials, emphasizing recent advances in predicting the synthesis of non-van der Waals 2D materials beyond traditional geometrical screening methods.

Contribution

It highlights recent developments in predicting the synthesis of non-vdW 2D materials, addressing the gap between theoretical predictions and experimental realizations.

Findings

A few thousand 2D materials predicted to be stable or exfoliable.

Only a few hundred 2D materials synthesized so far.

Recent methods improve prediction of non-vdW 2D material synthesis.

Abstract

This perspective overviews the family of two-dimensional (2D) materials, which have attracted significant attention due to their properties and potential applications, and discusses how novel 2D materials including van der Waals (vdW) and non-vdW 2D materials have been predicted so far. A few thousand 2D materials have been predicted to be exfoliable or dynamically/thermodynamically stable, whereas a few hundred 2D materials have been synthesized so far, highlighting a gap between the theoretical prediction and experiments. This perspective introduces the recent developments in predicting the synthesis of non-vdW 2D materials.