Fullerene Chemistry and Applications in Materials Science

Fullerenes, a class of closed-cage carbon allotropes typified by C₆₀, have attracted enduring interest due to their unique structural, electronic and supramolecular properties. Their conjugated π-system and high electron affinity render them versatile building blocks for functional materials. Chemical modification strategies—ranging from cycloaddition and radical addition to oxidative and electrochemical approaches—enable fine tuning of solubility, redox behaviour and intermolecular interactions. Functionalised fullerenes find applications in photovoltaics, where they serve as electron acceptors in organic and perovskite solar cells; in nanoelectronics, as charge-transporting layers or molecular wires; and in biomedical contexts, where water-soluble derivatives exhibit antiviral or antioxidant activity. Recent advances in regioselective electrosynthesis and supramolecular templating have overcome long-standing challenges in achieving precise addition patterns, opening routes to multivalent architectures with tailored optoelectronic characteristics. Oxidative and reductive transformations further expand the repertoire of fullerene-fused ketones, lactones and heterocycles, offering high thermal stability and processability. The convergence of electrochemical synthesis, structural characterisation by single-crystal X-ray diffraction and device integration underscores the global significance of fullerene chemistry for energy conversion, sensing and biomedicine.

Research from Nature Portfolio

Recent studies have demonstrated electrosynthetic routes to novel fused-ring fullerene derivatives via radical α-C–H functionalisation of side-chain esters. Electrochemical annulation of phenyl-C₆₁-butyric acid methyl ester yields bi- and tricyclic buckyballs and previously unknown bisfulleroids, with structures confirmed by single-crystal X-ray analysis. One annulated isomer, when incorporated as an additive in inverted planar perovskite solar cells, raised power conversion efficiency from around 16% to nearly 18%. Another advance has shown that a fullerene pendant can act as an electron reservoir to enable direct one-step oxidation of benzylic ethers to ketones under copper-mediated conditions. Mechanistic studies revealed the role of the fullerene radical cation in C–H bond activation, affording thermally stable fullerene-fused ketones that form pin-hole-free, amorphous electron-transport layers with high mobility.

Fullerene Chemistry and Applications in Materials Science publication trend

The graph below shows the total number of articles in fullerene chemistry and applications in materials science across all publications each year (not limited to Nature Index journals).

Technical terms

Fullerene: A molecular allotrope of carbon in which atoms form a spherical or ellipsoidal cage, exemplified by C₆₀.

Electrosynthesis: A chemical synthesis technique driven by electric current to generate reactive intermediates at electrodes.

Regioselectivity: The preference of a chemical reaction to occur at one position over other possible sites in a molecule.

Perovskite solar cell: A photovoltaic device utilising a light-absorbing layer with the perovskite crystal structure for efficient charge generation.

Fullerene-fused ketone: A compound in which a fullerene cage is covalently linked to a ketone functionality, often enhancing thermal and electronic properties.

References

1. Electrosynthesis of buckyballs with fused-ring systems from PCBM and its analogue. Nature Communications (2023).
2. Water-Soluble Fullerene C60 Derivatives Are Effective Inhibitors of Influenza Virus Replication. Microorganisms (2023).
3. Regioselective electrosynthesis of tetra- and hexa-functionalized [60]fullerene derivatives with unprecedented addition patterns. Chemical Science (2020).
4. Antioxidant Properties of Fullerene Derivatives Depend on Their Chemical Structure: A Study of Two Fullerene Derivatives on HELFs. Oxidative Medicine and Cellular Longevity (2019).
5. Supramolecular Approaches for Taming the Chemo- and Regiochemistry of C60 Addition Reactions. Organic Materials (2021).
6. One-step direct oxidation of fullerene-fused alkoxy ethers to ketones for evaporable fullerene derivatives. Communications Chemistry (2021).