| Research Abstract |
In the present work, the original project on atomic harmonized materials (Atomaterials), which is three dimensional imaging of atomic arrangement determination and property prediction by combination of real/reciprocal diffraction data, elemental/bonding data, theoretical calculation and structure optimization, was performed. The Atomaterials are materials that bring new hyper-propertics and life function by harmonizing metal, inorganic, organic and life materials in atomic scale.
PL and STM measurements of new Co@BN nanocapsules at room temperature showed the I-V characteristics with Coulomb staircase-like behavior. Atomic structures and stability of hexagonal-BN, diamond and Au nanoparticles with fivefold symmetry were investigated by high-resolution electron microscopy (HREM), electron diffraction and molecular orbital calculations. BN has fairly smaller distortion compared to the diamond and Au, which was also shown by molecular orbital and molecular mechanics calculations. BCN nanoc
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age fullerene materials were synthesized by arc-melting, chemical reaction, and self-organization. Atomic structures and structural stability of these materials were investigated by HREM, image simulation, EDS, electron energy-loss spectroscopy (EELS), and theoretical calculations.
Atomic structure models of BN metallofullerenes with La and Fe atoms were proposed. Possibility of hydrogen gas storage was calculated by molecular dynamics, molecular orbital calculation and ab initio calculation. The present work indicates that the new BCN nanocage, fullerene materials with various atomic structure and properties can be produced by various synthesis methods, which are expected as the future nanoscale devices.
3D atomic determination and precise structure determination by HREM-NED of B_<12> borides by HREM were performed. Surface and interface sturucture of Hg-Tl-Pb-based superconducting oxides were also clarified. These works contributed to the establishment of direct determination of atomic position and clarification of hyper-properties.
In addition to these results, the concept of the Atomaterials project was expanded to life-system. Chaos theory analysis of Atomaterials were performed, and decrease and increase of Lyapunov exponent and entropy of life function were observed, whose analysis are now in progress. Especially, life body of human being are the ultimate Atomaterials. The present Atomaterial project is the most important frontier of the material science in the 21st century. Less
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