水電解用金属硫化物触媒の包括的活性指標の発見~持続可能な水素社会実現への大きな飛躍~

2025-07-23 東京科学大学

東京科学大学の研究チームは、水電解の陽極反応に用いられる金属硫化物触媒の活性が、含有金属のd電子数により決まることを世界で初めて明らかにした。MnSやCoS₂など9種類の硫化物を分析し、d電子数と触媒活性の間に火山型の相関関係を発見。最適なd電子数(約7〜8)で最大の活性を示すことが示された。この知見は、水素製造用触媒の高効率設計を可能とし、レアメタル依存を避けたグリーン水素製造技術の進展に貢献する。

水電解用金属硫化物触媒の包括的活性指標の発見~持続可能な水素社会実現への大きな飛躍~
図1. OHが伝導する高分子膜を電解質とした「アニオン交換膜型水電解」の概略

<関連情報>

金属硫化物の電気化学的酸素発生触媒反応:電子効果の系統的研究 Electrochemical oxygen evolution catalysis of metal sulfides: a systematic study of electronic effects

Yuuki Sugawara, Taisei Uchiyama, Maxim Shishkin  and  Takeo Yamaguchi
Catalysis Science & Technology  Published:22 Jul 2025
DOI:https://doi.org/10.1039/D5CY00200A

Abstract

Metal sulfides have various applications, and their unique electrochemical properties have elicited avenues for their use as electrocatalysts. Metal sulfides have demonstrated promising electrocatalytic activity for the anodic oxygen evolution reaction (OER) in water electrolysis. However, activity descriptors for the OER on metal sulfides have not yet been explored. In this study, we systematically investigate the electrocatalytic OER activities of metal sulfides and propose comprehensive OER descriptors. We select nine metal sulfides, namely, MnS, CoS2, NiS, CuS, Cu2S, MoS2, ZnS, NiCo2S4 and CoNi2S4, and evaluate their OER activities as well as analyze important factors in their OER catalysis. The metal sulfides exhibit distinct OER activities based on their metallic components. Further, density functional theory calculations show a strong correlation between their OER activities and unoccupied d-band centers, similar to the case of metal oxides. Additionally, the OER activities follow a volcano plot relationship with the number of d electrons, a novel finding in this field. These insights offer a rational design guideline for developing metal sulfide-based OER electrocatalysts and contribute to advancements in green hydrogen production.

0505化学装置及び設備
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