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LAN: A Materials Notation for Two-Dimensional Layered Assemblies
journal contribution
posted on 2020-07-01, 22:04 authored by Georgios A. Tritsaris, Yiqi Xie, Alexander M. Rush, Stephen Carr, Marios Mattheakis, Efthimios KaxirasTwo-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.