LAN -- A materials notation for 2D layered assemblies

TL;DR

This paper introduces a universal notation system for describing 2D layered materials, enabling systematic representation and exploration of their complex assemblies for research and development.

Contribution

It presents a novel, domain-generic notation for 2D layered materials that captures arbitrary compositions and assembly processes, facilitating systematic materials knowledge transfer.

Findings

The notation can describe a wide range of 2D layered structures.

It supports representation of both existing and hypothetical assemblies.

Demonstrated with examples using common 2D materials.

Abstract

Two-dimensional (2D) layered materials offer intriguing possibilities for novel physics and applications. Before any attempt at exploring the materials space in a systematic fashion, or combining insights from theory, computation and experiment, a formal description of information about an assembly of arbitrary composition is required. Here, we introduce a domain-generic notation that is used to describe the space of 2D layered materials from monolayers to twisted assemblies of arbitrary composition, existent or not-yet-fabricated. The notation corresponds to a theoretical materials concept of stepwise assembly of layered structures using a sequence of rotation, vertical stacking, and other operations on individual 2D layers. Its scope is demonstrated with a number of example structures using common single-layer materials as building blocks. This work overall aims to contribute to the systematic codification, capture and transfer of materials knowledge in the area of 2D layered materials.