| 研究実績の概要 |
I joint Osaka University on 25th of November 2013. During the two years of my research, I focused on studying the thermoelectric properties of sodium cobaltate doped with various dopants and defects. The objective of the research is to establish the upper limit of thermoelectric performance by using doping technology in bulk systems. This research was conducted using VASP ab initio package on Kyushu University supercomputer.
The applied research methodology included density functional based defect/dopant formation energy calculations to reveal the favorite doping concentration, lattice site, charge state for any given dopants which is known as energetics calculations. The generated insight has determined the maximum possible thermoelectric performance. Since obtaining full experimental understanding of thermal conductivity for different phonon modes are increasingly difficult, we anticipate the generated computational results will guide the future experimental efforts.
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