Organic Semiconductors

Covalent Organic Frameworks

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The reversible boronate-ester condensation reaction shown here drives the assembly of covalent organic framework building blocks. Novel all-organic solar cell architectures based on 2D phthalocyanine-based covalent organic frameworks filled with prototypical n-type fullerene molecules.
Related Publications:
Brian Koo, Paulette Clancy, “Critical Nucleus Size of COF-5 moieties in solution.” (In preparation).

Brian Koo, Philip Berard, Paulette Clancy, “A Kinetic Monte Carlo Study of Fullerene Adsorption in Phthalocyanine COFs.” (In preparation).

Brian Koo, Paulette Clancy, “Towards Optimal Packing and Diffusion of Fullerene Molecules in the Pc-PBBA Covalent Organic Framework,” Molecular Simulation, 2014, 40, 58-70.

Brian Koo, William Dichtel, Paulette Clancy, “A classification scheme for the stacking of two-dimensional boronate ester-linked covalent organic frameworks,” Journal of Materials Chemistry, 2012, 22, 17460–17469.

Eric L. Spitler, Brian T. Koo, Jennifer L. Novotney, John W. Colson, Fernando J. Uribe-Romo, Gregory D. Gutierrez, Paulette Clancy, and William R. Dichtel, “A 2D Covalent Organic Framework with 4.7-nm Pores and Insight into Its Interlayer Stacking,” Journal of the American Chemical Society, 2011, 133, 19416-19421.

TIPS Pentacene

Figure 3b.
Mannsfeld, S. C. B., Tang, M. L. and Bao, Z. (2011), Thin Film Structure of Triisopropylsilylethynyl-Functionalized Pentacene and Tetraceno[2,3-b]thiophene from Grazing Incidence X-Ray Diffraction. Adv. Mater., 23: 127–131. doi: 10.1002/adma.201003135

6,13-TIPS pentacene is an organic material with pi orbital overlap that undergo significant charge transport. Varying the unit cell parameters, changing the solvent size, and subjecting the unit cell to shear affects the energy. In addition, deviations of the acene, silylethynyl, and methyl angles from equilibrium overlap can influence the energy profile and the different polymorph configurations.

Related Publications:

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