Bilayer Breakthrough: A New Molecular Model Unlocks Higher Semiconducting Graphene

Bilayer Graphene Molecular Model

Researchers from the University of Malaga and the Complutense University of Madrid have introduced a groundbreaking molecular model of bilayer graphene that brings us one step closer to designing next-generation semiconductors and energy devices. Their work, published in Nature Chemistry, paves the way for customized nanographene molecules with controllable electronic properties—potentially revolutionizing computing and solar energy conversion technologies.

This new model—developed over six years in collaboration with scientists from Japan and Singapore—simulates the elusive “magic angle” between graphene layers, a phenomenon known to induce exotic electronic states like superconductivity and enhanced semiconductivity. But unlike previous studies that manipulated large graphene sheets, this approach leverages molecular-level control over rotation and charge behavior through precise chemical design.

Why Graphene Still Amazes Scientists

Graphene has long captivated researchers for its extraordinary physical characteristics—it's ultra-strong, ultra-thin, highly conductive, and flexible. But by stacking two layers of graphene with fine-tuned orientation, even more intriguing phenomena emerge.

This new study introduces a model that captures those interactions using covalently bound molecular nanographenes. According to Prof. Juan Casado Cordón, one of the project leads, these molecules enable the simulation of rotational configurations that affect conductivity and allow semiconducting behavior to emerge—key for use in transistors, sensors, and logic circuits.

Zwitterions, Charge Transfer, and Photosynthesis Mimicry

One of the most striking aspects of the new bilayer graphene model is its zwitterionic open-shell structure. This means that the molecule exhibits both positive and negative charges simultaneously, enabling complex charge transfer dynamics within a stable, metastable structure.

This behavior mirrors the fundamental process of photosynthesis, in which light energy is converted into electrostatic and then chemical energy. Here, the artificial molecule mimics biological charge separation, hinting at the future possibility of custom-designed photovoltaic materials that convert sunlight into electricity more efficiently by using bio-inspired pathways.

A Quantum-Classical Hybrid Perspective

The team describes this bilayer system as “quantum-mechanical” yet “classically bound”—a reference to the coulombic electrostatic forces at play. It is a rare case where molecular-scale systems bridge the gap between classical bonding concepts and quantum-level electron behavior, all within a stable molecular framework.

This discovery offers not only fundamental scientific insight but also a potential platform for future nanoelectronic architectures and molecular transistors.

Collaborative Science Across Borders

The research was carried out by experts in physical chemistry, molecular modeling, and spectroscopy, including Samara Medina and Daniel Aranda from the University of Malaga. International contributions from laboratories in Japan and Singapore helped validate the experimental and theoretical models through advanced characterization techniques.

The study, entitled “Synthesis of zwitterionic open-shell bilayer spironanographenes”, is now available in Nature Chemistry and stands as a milestone in the synthesis of artificially engineered molecular materials for next-generation technology.

Read the Original Source

Phys.org – A New Molecular Model of Bilayer Graphene with Higher Semiconducting Properties

Nature Chemistry DOI: 10.1038/s41557-025-01810-2

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bilayer graphene model, molecular nanographene semiconductors, charge transfer in graphene, zwitterionic graphene structures, photosynthesis mimicking materials, electrostatic charge separation molecules, nanographene transistor materials, rotational control in graphene, organic photovoltaic nanomaterials, quantum-classical molecular design

#Graphene #BilayerGraphene #MolecularElectronics #Semiconductors #PhotosynthesisMimicry #QuantumMaterials #MaterialsScience #OrganicElectronics #Nanoengineering #QuantumServerNetworks

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