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Band Structure Visualization of Nanostructures―Extending the Concept of Electronic Bands to Materials with Imperfect Periodic Structures or “Bent Systems”―

An international collaborative research group, including Assistant Professor Naoya Yamaguchi and Professor Fumiyuki Ishii of Nanomaterials Research Institute, Kanazawa University, Associate Professor Chi-Cheng Lee of Tamkang University in Taiwan, and Professor Taisuke Ozaki of the University of Tokyo, has developed a new computational method to visualize the electronic structures of aperiodic nanomaterials as band structures through first-principles calculations on finite-sized giant molecule models.
This research was published online in the U.S. scientific journal Nano Letters on December 10, 2025, at 8:00 AM (Eastern Standard Time). It has also been selected for the journal’s cover (Supplementary Cover).
Please see the PDF below for details.
Press Release PDF (in Japanese)