2023 Fiscal Year Final Research Report
Development of broadband high-efficiency upconversion phosphors through ligand field engineering
| Project/Area Number |
22K20491
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| Research Category |
Grant-in-Aid for Research Activity Start-up
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| Allocation Type | Multi-year Fund |
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| Review Section |
0401:Materials engineering, chemical engineering, and related fields
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| Research Institution | National Institute of Advanced Industrial Science and Technology |
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Principal Investigator |
Kitagawa Yuuki 国立研究開発法人産業技術総合研究所, 材料・化学領域, 研究員 (00964892)
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| Project Period (FY) |
2022-08-31 – 2024-03-31
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| Keywords | 蛍光体 / 近赤外光 / 構造相転移 / 遷移金属イオン / 波長制御 / 第一原理計算 |
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| Outline of Final Research Achievements |
Photon upconversion using Er3+ ions is promising for photovoltaics, as it can convert light of 1.5 μm to light around 980 nm with high power generation efficiency. Sensitization with Ni2+, which exhibits broadband near-infrared (NIR) absorption, has been proposed to enhance this process. However, the optical properties of Ni2+ ions are difficult to predict empirically. In this study, we aimed to control the Ni2+ absorption energy through ligand field engineering and predict the absorption energy of various Ni2+-doped phosphors using ab initio calculations. By leveraging the phase transition of Ni2+-doped phosphors, we successfully shifted the NIR absorption bands by 50 nm. This demonstrates the feasibility of designing devices with absorption characteristics tailored to the solar spectrum. Our ab initio calculations predicted the absorption energies of various Ni2+-doped phosphors, showing that the trend of absorption energy shifts can be anticipated based on the crystal structure.
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| Free Research Field |
材料化学
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| Academic Significance and Societal Importance of the Research Achievements |
遷移金属添加蛍光体の光物性は，局所構造に大きく依存する。田辺菅野ダイアグラムと既知材料の物性から経験的にある程度予測可能であるが，局所的に大きく歪んだ材料の場合予測困難であり，また吸収エネルギーを正確に予測することは難しい。本研究成果は，幅広いNIR域で所望の光吸収特性を有する遷移金属蛍光体を非経験的に探索することができる上に，構造相転移を利用することで細かな波長制御も可能であることを示しており，テーラーメイド蛍光体として様々な社会のニーズに応えることができる蛍光体の設計手法を提案するものである。本手法は学術的意義に加え，大きな社会的意義を持つものであると考える。
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