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論文

Computational discovery of optimal dopants for nickel iron oxyhydroxide to enhance OER activity and saline water compatibility

Jung, H.*; 松村 大樹; 他12名*

ACS Energy Letters (Internet), 9(5), p.2162 - 2172, 2024/04

 被引用回数:7 パーセンタイル:91.01(Chemistry, Physical)

A strategic approach has been proposed for designing robust, high-performing oxygen evolution reaction (OER) catalysts tailored for saline water splitting. By employing a density functional theory (DFT)-based computational screening process, a set of promising dopants were identified from a range of 26 3d to 5d transition metals, with the aim of enhancing the activity and saline water resilience of the catalysts. The screening methodology was 3-fold, encompassing evaluations of OER energetics, chlorine evolution reaction (ClER) energetics, and chloride-corrosion energetics. The screening led to the selection of Sc as a promising dopant, which substantially elevated the performance of the NiFeOOH catalysts. This improvement was validated by an 87 mV decrease in OER overpotential at 100 mA/cm$$^{2}$$ and a 100 h stability test under 1 M KOH + 0.5 M NaCl conditions. This study contributes to the understanding of the alkaline ClER and chloride-corrosion mechanisms, providing insights into catalyst behavior under saline conditions.

論文

3D water management in polymer electrolyte fuel cells toward fuel cell electric vehicles

吉宗 航*; 樋口 雄紀*; 加藤 晃彦*; 日比 章五*; 山口 聡*; 松本 吉弘*; 林田 洋寿*; 野崎 洋*; 篠原 武尚; 加藤 悟*

ACS Energy Letters (Internet), 8(8), p.3485 - 3487, 2023/08

 被引用回数:12 パーセンタイル:82.74(Chemistry, Physical)

A multiscale water visualization technique for polymer electrolyte fuel cells was established by using ${it operando}$ multiprobe radiography with pulsed spallation neutron and synchrotron X-ray sources. The three-dimensional water distribution revealed that water back-diffusion from the cathode to the anode significantly contributes to the drainability of practical polymer electrolyte fuel cells toward fuel cell electric vehicles.

論文

Operando Br K-edge dispersive X-ray absorption fine structure analysis for Br$$^{-}$$/Br$$_{3}$$$$^{-}$$ redox mediator for Li-Air batteries

伊藤 仁彦*; 松村 大樹; Song, C.*; 久保 佳美*

ACS Energy Letters (Internet), 7(6), p.2024 - 2028, 2022/06

 被引用回数:6 パーセンタイル:44.37(Chemistry, Physical)

The behavior of Br$$^{-}$$/Br$$_{3}^{-}$$ redox mediator (RM), which has been shown to suppress charging overpotential in lithium-air batteries, has been detected for the first time using operando Br K-edge dispersive X-ray absorption fine structure. Br$$_{3}^{-}$$ ions in the electrolyte increase monotonically after $$sim$$ 30% charging, which indicates that a part of Br$$_{3}^{-}$$ formed via the oxidation of Br$$^{-}$$ during charging does not oxidize Li$$_{2}$$O$$_{2}$$ as RM but gets accumulated in the cell. Consistent with this result, the O$$_{2}$$ evolution efficiency gradually decreases from the initial 100% as the charging progresses, and CO$$_{2}$$ is emitted at the end of the charging. All these results clearly show that the Br$$^{-}$$/Br$$_{3}^{-}$$ RM functions effectively at the beginning of charging but gradually loses its function as charging proceeds.

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