Title: 

Exquisite control of electronic and spintronic properties on highly porous 2D covalent organic frameworks (COFs)

Year of Publication:

2024

Authors:

Daniel Maldonado-Lopez, Jose Mendoza-Cortes

Conference:

Bulletin of the American Physical Society

Abstract:

Daniel Maldonado-Lopez

(Michigan State University)

Authors:

Daniel Maldonado-Lopez

(Michigan State University)

Jose L Mendoza-Cortes

(Michigan State University)

Two-dimensional covalent organic frameworks (2D COFs) are layered crystalline organic porous materials. Their high surface area and excellent synthesis modularity make them attractive candidates for electronic, optoelectronic, and catalytic applications. However, their implementation is limited due to relatively poor π-delocalization. Practical applications require controlling and tuning their electronic structure. This work uses hybrid density functional theory to computationally explore a freestanding bilayer 2D COF architecture. We systematically study the intercalation of first-row transition metals in the …

URL:

https://meetings.aps.org/Meeting/MAR24/Session/V00.156