□□□ 8.２ 新領域創成研究部―117―Raman spectra, optical responses, and thermoelectricity of 1D & 2D materials □□□□□□□□□□□□□□□□□□□□□□□□□□□ □□□□□□□□□□□□□ □□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□ 2023□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□C60□C70□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□HF-Li+@C60□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□□ □□□□□[1] H. Ueno, T. Mabuchi, T. Ito, et al., Chem. Eur. J. 2024, 30, e2023039. □Nguyen Tuan Hung (Creative Interdisciplinary Research Division /Materials and Energy) For Raman spectra, we have developed an open-source program “QERaman” [1] that can calculate Raman spectroscopy. The program has been used to explain the Raman observations in 1D materials [1]. For optical response, we studied both linear and non-linear optical responses of 2D materials [2], in which we have proposed a new mechanism to enhance the second harmonic generation in 2D material by stacking order [2]. For thermoelectricity, we found a high anisotropic 2D material, which could give a high thermoelectric energy conversion [3]. We also found a mechanism to give ultra-low thermal conductivity for the thermoelectric material [3]. In summary, our studies were multidisciplinary studies covering several different topics of materials science. References [1] N. T. Hung, et al., Comput. Phys. Commun. 295, 108967 (2024); S. Han, et al., Nano Lett. 23, 8454-8459 (2023); D. P. Gulo, et al., J. Phys. Chem. Lett. 14, 10263-10270 (2023) [2] N. T. Hung, et al., ACS Nano 17, 19877 (2023); H. L. Liu, et al., Phys. Rev. B 107, 165421 (2023); D. P. Gulo, et al., Phys. Rev. Mater. 7, 044001 (2023) [3] N. T. Hung, Appl. Phys. Lett. 123, 252109 (2023); V. V. Thanh, et al., Surf. Inter. 44, 103829 (2024) □
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