29 June 2026
A team of researchers from CICECO and the University of Aveiro (UA), from the Departments of Physics and Chemistry, has identified five new carbon structures that could represent a significant advance in the development of innovative materials with potential applications in areas such as electronics, energy, and other emerging technologies.
The study, conducted using advanced computational simulations, focused on fullerenes: carbon molecules known for their soccer ball-like shape. By analyzing how these molecules can connect with each other under extreme pressure and temperature conditions, the scientists discovered new three-dimensional configurations.
The proposed structures are organized in the form of clathrates, a class of materials characterized by a continuous network of cavities or "cages" capable of trapping other atoms or molecules. This characteristic makes them particularly attractive for technological applications, as it can confer unique physical and chemical properties.
Although clathrates of other elements, such as silicon and germanium, exist, carbon clathrates remain unsynthesized in the laboratory. Until now, theoretical proposals for this family of materials have been based on already known structures of these elements. The present work, as well as a previous study by the same team, presents a distinct approach by proposing entirely original architectures, based on novel topologies.
Authored by Jorge Laranjeira, Leonel Marques, Manuel Melle-Franco, Karol Strutynski, and Manuel Barroso, from the Physics and Chemistry departments of CICECO – Aveiro Institute of Materials and i3N/Aveiro – Institute of Nanostructures, Nanomodelling and Nanofabrication, the work shows that the new structures are mechanically and dynamically stable, fundamental requirements for their eventual experimental production.
The research also suggests that the synthesis of these materials could be achieved through the polymerization of fullerenes under high pressure and temperature conditions, opening new perspectives for the experimental production of carbon clathrates, an objective pursued by the scientific community for several decades.
The discovery contributes to deepening the knowledge about the different forms that carbon can assume and reinforces the potential of this element to give rise to materials with unprecedented properties and future applications in various technological sectors.
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Researchers
Jorge Diogo Marques Laranjeira
Junior Researcher
Leonel Marques Vitorino Joaquim
Assistant Professor
Manuel Melle-Franco
Principal Researcher
Karol Strutyński
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