| 研究課題/領域番号 |
20J13064
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| 研究種目 |
特別研究員奨励費
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| 配分区分 | 補助金 |
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| 応募区分 | 国内 |
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| 審査区分 |
小区分36020:エネルギー関連化学
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| 研究機関 | 信州大学 (2021)
九州工業大学 (2020) |
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研究代表者 |
滕 鎮遠 信州大学, 先鋭領域融合研究群先鋭材料研究所, 特別研究員(PD)
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| 研究期間 (年度) |
2020-04-24 – 2022-03-31
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| 研究課題ステータス |
完了 (2021年度)
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| 配分額 *注記 |
1,900千円 (直接経費: 1,900千円)
2021年度: 900千円 (直接経費: 900千円)
2020年度: 1,000千円 (直接経費: 1,000千円)
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| キーワード | Photocatalysis / H2O2 production / Molecular engineering / Single-atom catalyst / Population analysis / Time-dependent DFT / photocatalysis / H2O2 / carbon nitride / single-atom catalyst / charge seperation |
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| 研究開始時の研究の概要 |
Developing single atom photocatalysts for H2O2 production with earth abundant oxygen and water based on theoretical simulation and practical experimental results.
A comprehensive guidelines from electronic configuration to activity and selectivity improvement will be established.
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| 研究実績の概要 |
We demonstrate a polarization engineering strategy by grafting (thio)urea functional groups onto covalent triazine frameworks (CTFs), giving rise to significantly promoted charge separation/transport and obviously enhanced proton transfer. Our calculation studies reveal the performance is attributed to the prominently enhanced 2-electron oxygen reduction reaction by improved charge separation and highly concentrated holes at the thiourea site.
We also a prepared a flat and uniform polycrystalline Cu3BiS3 (CBS) thin film on a molybdenum-coated glass (Mo-SLG) by spray pyrolysis deposition for generation of hydrogen peroxide (H2O2). The photoelectrochemically (PEC) synthesis proceeds by an indirect 2e－ ORR initial formation of superoxide, which is disproportionate to H2O2.
We calculated the water oxidation ability and its influence on photocatalytic oxidation of CH4 over symmetrically coordinated cobalt single-atom. It is revealed that the single-cobalt-atom PCN photocatalyst with 2N and 2C coordinated Co center possesses a desired electronic configuration for one electron transfer water oxidation reaction during photocatalysis.
The activation of water for boosting the mass transfer of H to form H2O2 is found to be the rate-determined step during the 2e- ORR process on triazine sites. Taking SAC_Au-KPCN as an example, the overlap of K 4s and Au 5d orbitals generated a shallow-trapped energy level for accumulation of highly-concentrated holes at Au sites, thus leading to an significantly accelerated H2O activation and a remarkably boosted activity for H2O2 production.
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| 現在までの達成度 (段落) |
令和3年度が最終年度であるため、記入しない。
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| 今後の研究の推進方策 |
令和3年度が最終年度であるため、記入しない。
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