中国科学院大连化学物理研究所研究团队发现，在甲烷部分氧化反应中，氧化镍表面重建形成的[Ni1O4Ni4]原子结构是真正的活性中心，其催化效能显著超越长期以来认为的金属镍 1。
研究表明，该重建结构对甲烷C-H键断裂的激活能垒仅为12.5 kcal·mol⁻¹，远低于完整NiO(100)表面的38.5 kcal·mol⁻¹和金属Ni(111)表面的15.7 kcal·mol⁻¹ 1。在此催化剂作用下，甲烷转化率达到92%，一氧化碳选择性为87.0%，H₂/CO摩尔比稳定在约2.0 1。含镍量仅为0.8wt%的低镍催化剂性能可与含镍量10倍的催化剂相当 1。
该研究由张涛、王爱琴、刘晓燕等教授领导 1，成果发表在《自然·催化学》期刊2026年第9卷第8期 1。
Researchers at the Dalian Institute of Chemical Physics under the Chinese Academy of Sciences have identified a previously unknown atomic structure that serves as the true active site in partial methane oxidation reactions.1 The reconstructed surface structure, designated as [Ni1O4Ni4], forms on nickel oxide and proves significantly more effective than metallic nickel, which had long been considered the primary catalyst component.1
The breakthrough demonstrates remarkable efficiency gains in catalytic performance. Low-nickel catalysts containing just 0.8 wt% nickel achieved performance equivalent to catalysts with 8.0 wt% nickel content.1 These optimized catalysts converted 92% of methane while achieving 87.0% selectivity for carbon monoxide and a hydrogen-to-carbon monoxide molar ratio of approximately 2.0.1 The reconstructed [Ni1O4Ni4] structure dramatically lowers the activation energy barrier for methane C-H bond breaking to 12.5 kcal·mol⁻¹, compared to 38.5 kcal·mol⁻¹ on the intact NiO(100) surface and 15.7 kcal·mol⁻¹ on metallic Ni(111).1
The research, led by professors Zhang Tao, Wang Aiqin, and Liu Xiaoyan at the Dalian Institute of Chemical Physics, was published in Nature Catalysis in September 2026.1
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