Electronic Structure of Two-Dimensional π-Conjugated Covalent Organic Frameworks

Simil Thomas; Hong Li; Cheng Zhong; Michio Matsumoto; William R. Dichtel; Jean Luc Bredas

doi:10.1021/acs.chemmater.8b04986

Electronic Structure of Two-Dimensional π-Conjugated Covalent Organic Frameworks

Simil Thomas, Hong Li^*, Cheng Zhong, Michio Matsumoto, William R. Dichtel, Jean Luc Bredas

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Review article › peer-review

113 Scopus citations

Abstract

Increasing attention is being given to the development of covalent organic frameworks (COFs) that are based on monolayers of fully π-conjugated structures. At first glance, such two-dimensional (2D) polymer networks could simply be viewed as a mere extension into a second dimension of the quasi-one-dimensional (1D) conjugated polymers at the origin of the field of organic electronics. However, such a view misses essential characteristics coming specifically from 2D lattice symmetry. Our aims in this Perspective are twofold. We seek (i) to provide a conceptual, chemistry-oriented theoretical description of the impact on the electronic structure of this extension from 1D to 2D and (ii) to establish chemical structure-symmetry-electronic property relationships for this class of 2D π-conjugated COFs.

Original language	English (US)
Pages (from-to)	3051-3065
Number of pages	15
Journal	Chemistry of Materials
Volume	31
Issue number	9
DOIs	https://doi.org/10.1021/acs.chemmater.8b04986
State	Published - May 14 2019

Funding

This work was supported by the Army Research Office, under the Multidisciplinary University Research Initiative (MURI) program (award no. W911NF-15-1-0447) and under grant no. W911NF-17-1-0339. The authors are grateful to Dr. M.F. Crommie, Dr. S.R. Marder, Dr. Dan Ralph, Dr. F. Wang, and their research groups for the most stimulating discussions. The computational work was supported in part by a grant of computer time from the DOD High Performance Computing Modernization Program.

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Materials Chemistry

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abstract = "Increasing attention is being given to the development of covalent organic frameworks (COFs) that are based on monolayers of fully π-conjugated structures. At first glance, such two-dimensional (2D) polymer networks could simply be viewed as a mere extension into a second dimension of the quasi-one-dimensional (1D) conjugated polymers at the origin of the field of organic electronics. However, such a view misses essential characteristics coming specifically from 2D lattice symmetry. Our aims in this Perspective are twofold. We seek (i) to provide a conceptual, chemistry-oriented theoretical description of the impact on the electronic structure of this extension from 1D to 2D and (ii) to establish chemical structure-symmetry-electronic property relationships for this class of 2D π-conjugated COFs.",

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AU - Bredas, Jean Luc

N1 - Funding Information: This work was supported by the Army Research Office, under the Multidisciplinary University Research Initiative (MURI) program (award no. W911NF-15-1-0447) and under grant no. W911NF-17-1-0339. The authors are grateful to Dr. M.F. Crommie, Dr. S.R. Marder, Dr. Dan Ralph, Dr. F. Wang, and their research groups for the most stimulating discussions. The computational work was supported in part by a grant of computer time from the DOD High Performance Computing Modernization Program. Publisher Copyright: © 2019 American Chemical Society.

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N2 - Increasing attention is being given to the development of covalent organic frameworks (COFs) that are based on monolayers of fully π-conjugated structures. At first glance, such two-dimensional (2D) polymer networks could simply be viewed as a mere extension into a second dimension of the quasi-one-dimensional (1D) conjugated polymers at the origin of the field of organic electronics. However, such a view misses essential characteristics coming specifically from 2D lattice symmetry. Our aims in this Perspective are twofold. We seek (i) to provide a conceptual, chemistry-oriented theoretical description of the impact on the electronic structure of this extension from 1D to 2D and (ii) to establish chemical structure-symmetry-electronic property relationships for this class of 2D π-conjugated COFs.

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Electronic Structure of Two-Dimensional π-Conjugated Covalent Organic Frameworks

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