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We manipulate elements to develop electronic materials, batteries, and catalysts!

Keywords: non-localized electronic systems, electronic materials, electrical conductivity, single-molecule electronics, multivalent ionic compounds, transition metal catalysts.

New electronic materials are always based on new structures. These are shaped by new electronic systems. In particular, delocalized electronic systems that allow electrons to change their locations are key to new condensed matter science. From this perspective, focusing on "aromaticity," which has been studied for nearly 200 years since the discovery of benzene, where electrons delocalize under special conditions, we have revealed for the first time in the world that aromaticity can also occur in combinations of carbon with heavy elements like tin or lead. We have also succeeded in generating a different type of aromaticity using heavy atoms. These findings represent foundational research that could rewrite textbooks and serve as seeds for new condensed matter science. Additionally, leveraging the size of heavy atoms, we discovered an unprecedented electrical conduction path that allows for interaction and conduction of electricity even without bonds. This led to high electrical conductivity in molecules with non-planar structures, which is significant as foundational research that brings new principles to single-molecule electronics. We are also developing highly active transition metal catalysts.

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[Analysis Case] Electronic State Evaluation of Wide Bandgap Semiconductor Dopant Site Identification

Evaluation of microscopic atomic structures is possible through computational simulation.

β-Ga2O3 has a wide band gap and is expected to be a promising material for next-generation power devices and oxide semiconductors in terms of excellent power transmission efficiency and cost reduction. In recent years, it has been reported that β-Ga2O3 can be n-doped with Si or Sn. In this study, we conducted structural optimization calculations for models of β-Ga2O3 doped with Si or Sn and evaluated which sites each dopant is more likely to occupy in the crystal. Subsequently, we calculated the density of states from the obtained structural models and investigated the changes in electronic states due to doping.

  • Contract Analysis
  • Other semiconductors

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