2022 Fiscal Year Annual Research Report
Screening of environmentally friendly quantum-nanocrystals for energy and bioimaging applications by combining experiment and theory with machine learning
| Project/Area Number |
20H02579
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| Allocation Type | Single-year Grants |
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| Research Institution | National Institute of Advanced Industrial Science and Technology |
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Principal Investigator |
Buerkle Marius 国立研究開発法人産業技術総合研究所, 材料・化学領域, 主任研究員 (00756661)
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| Co-Investigator(Kenkyū-buntansha) |
Svrcek Vladimir 国立研究開発法人産業技術総合研究所, エネルギー・環境領域, 主任研究員 (80462828)
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| Project Period (FY) |
2020-04-01 – 2025-03-31
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| Keywords | nanopartilces / machine learning / DFT / luminasence / solarcells |
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| Outline of Annual Research Achievements |
We study the electronic, optical, magnetic and structural properties of nanoparticles. In particular we investigated the cross-over from bulk to quantum-confined nanoparticles to molecular like structures (https://www.nature.com/articles/s41598-023-31989-8). We could show that our quasi-band structure approach captures these regimes well. We were able to correctly assign "band transitions" in quantum-confined nanoparticles, which allows to, consistent with experimental data, to classify nanoparticles into direct and in-direct semiconductors. Moreover we investigated the structural properties of alloyed nanocrystals for high temperatures and we could show that they remain stable even at high temperatures, which is important for future integration into silicon-based electronics. Similarly surface functionalization remains stable even for long periods under ambient conditions.
Still ongoing research studies the ultra-small silicon-tin nanoparticles with core-shell structure.
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| Current Status of Research Progress |
Current Status of Research Progress
2: Research has progressed on the whole more than it was originally planned.
Reason
One paper from this fiscal year already published and two are currently under review.
We started a new collaboration with international partners for novel nanoparticles characterization within the project.
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| Strategy for Future Research Activity |
i. nanoparticles as narrow-bandwidth light source for quantum optical applications.
ii. integration of nanoparticles into photovoltaic devices.
iii. surface functionalization of carbon quantum dots.
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