Research projects

The development of new generations of more efficient solar cells requires novel strategies regarding the availability of pure regio-isomer derivatives of fullerenes for their application as electron transport materials (ETM). The objective of this project is the synthesis of pure regio-isomers of fullerene C₆₀ poly-adducts by means of the pioneering technique of supramolecular masks, capable of presenting the regio-functionalization of fullerene confined through its openings.

In the initial phase of the project, new supramolecular nanocapsules are being designed with a variable and modular size in the interior cavity and openings. This first objective has begun to bear fruit with the synthesis of second and third generation nanocapsules, for the encapsulation of C₆₀ and larger fullerenes. (Org. Chem. Front., 2021, 8, 4101). Likewise, we have promising results in the synthesis of 1st generation nanocapsules with fluorinated clips. The second objective is the regioselective functionalization of C₆₀ through cyclopropanation and/or cycloaddition reactions for the synthesis of pure isomers. We have published one article on the regioselective bis-functionalization (Bingel cyclopropanation) of C₆₀ with a second-generation nanocapsule (Nature Chemistry 2021, 420(13), 420–427). In addition, we are in a position to publish the orthogonal synthesis of bis-homo-adducts Diels Alder (cycloaddition) depending on the size of the acene used, as well as the synthesis of hetero-adducts combining Diels Alder with Bingel. In this year 2022, the range of pure heteroadducts of C₆₀ will be expanded, regioselective poly-functionalization will be applied to C₇₀ and specific derivatives will be selected for implementation in perovskite-based solar cells (PSC).