Research projects

The development of new generations of more efficient solar cells requires novel strategies regarding the availability of regioisomerically pure derivatives of fullerenes for their application as electron transport materials (ETM). The objective of this project is the synthesis of pure regio-isomers of fullerenes 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 of variable size and modulable interior cavity and openings were designed. The result of this was the synthesis of second and third generation nanocapsules, for the encapsulation of C60 and larger fullerenes. (Org. Chem. Front., 2021, 8, 4101). On the regioselective functionalization of C60 by means of cyclopropanation and/or cycloaddition reactions for the synthesis of pure isomers (second objective), we have reported the regioselective Bingel bis-cyclopropanation of C60 with a second generation nanocapsule (Nature Chemistry 2021, 420( 13), 420–427). Moreover, in this 2022 we have published the orthogonal synthesis of Diels Alder bis-homo-adducts (cycloadditions) depending on the size of the acene used, as well as the synthesis of hetero-adducts combining Diels Alder with Bingel (Cell Rep. Phys. Sci. 2022, 3, 100992). Also, an informative article on the regiofunctionalization of fullerenes (https://raco.cat/index.php/RevistaSCQ/article/view/409522/504426). In 2023, the range of pure C60 heteroadducts will be expanded (including Bingel and PCBM cyclopropanations and Diels Alder cycloadditions), regioselective Bingel polyfunctionalization will be applied to C70 and, as the last phase of the project, specific C60 and C70 derivatives will be selected for their implementation in perovskite-based solar cells (PSC).