Mapping the Binding Energy of Layered Crystals to Macroscopic Observables.

ABSTRACT: Van der Waals (vdW) integration of two dimensional (2D) crystals into functional heterostructures emerges as a powerful tool to design new materials with fine-tuned physical properties at an unprecedented precision. The intermolecular forces governing the assembly of vdW heterostructures are investigated by first-principles models, yet translating the outcome of these models to macroscopic observables in layered crystals is missing. Establishing this connection is, therefore, crucial for ultimately designing advanced materials of choice-tailoring the composition to functional device properties. Herein, components from both vdW and non-vdW forces are integrated to build a comprehensive framework that can quantitatively describe the dynamics of these forces in action. Specifically, it is sho

SUBMITTER: Moazzami Gudarzi M 

PROVIDER: S-EPMC9685473 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature