研究人员通过 DFT - 元动力学研究 WSe 2 催化析氧反应（OER），揭示水辅助机制，为优化催化剂提供策略。 在能源领域，水分解制氢被视为获取清洁能源的 “圣杯”，而其中的析氧反应（Oxygen Evolution Reaction，OER）却如同一只 “拦路虎”。OER 的缓慢动力学严重阻碍 ...

The research team analyzed the catalyst's structural and electronic properties under OER conditions using a combination of theoretical density functional theory (DFT) calculations and advanced ...

OER, a key reaction in water splitting ... structure (FT-EXAFS)—alongside theoretical density functional theory (DFT) calculations, the research team investigated the structural and electronic ...