催化作用
纳米颗粒
密度泛函理论
离解(化学)
氧气
材料科学
金属
析氧
氢
杂原子
钌
分解水
带隙
无机化学
光化学
化学
纳米技术
物理化学
计算化学
电化学
有机化学
光催化
冶金
光电子学
电极
戒指(化学)
作者
Guangkai Li,Haeseong Jang,Shangguo Liu,Zijian Li,Min Kim,Qing Qin,Haiping Li,Jaephil Cho
标识
DOI:10.1038/s41467-022-28947-9
摘要
Abstract Ru nanoparticles have been demonstrated to be highly active electrocatalysts for the hydrogen evolution reaction (HER). At present, most of Ru nanoparticles-based HER electrocatalysts with high activity are supported by heteroatom-doped carbon substrates. Few metal oxides with large band gap (more than 5 eV) as the substrates of Ru nanoparticles are employed for the HER. By using large band gap metal oxides substrates, we can distinguish the contribution of Ru nanoparticles from the substrates. Here, a highly efficient Ru/HfO 2 composite is developed by tuning numbers of Ru-O-Hf bonds and oxygen vacancies, resulting in a 20-fold enhancement in mass activity over commercial Pt/C in an alkaline medium. Density functional theory (DFT) calculations reveal that strong metal-support interaction via Ru-O-Hf bonds and the oxygen vacancies in the supported Ru samples synergistically lower the energy barrier for water dissociation to improve catalytic activities.
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