蒸汽重整
催化作用
甲醇
密度泛函理论
氧化物
金属
多相催化
氧气
材料科学
化学工程
化学
格子(音乐)
化学物理
无机化学
计算化学
冶金
有机化学
制氢
工程类
物理
声学
作者
Xiang‐Kui Gu,Botao Qiao,Chuan-Qi Huang,Wu-Chen Ding,Keju Sun,Ensheng Zhan,Tao Zhang,Jingyue Liu,Wei‐Xue Li
摘要
The single Pt1 and Au1 atoms stabilized by lattice oxygen on ZnO{1010} surface for methanol steam reforming is reported. Density functional theory calculations reveal that the catalysis of the single precious metal atoms together with coordinated lattice oxygen stems from its stronger binding toward the intermediates, lowering reaction barriers, changing on the reaction pathway, enhancing greatly the activity. The measured turnover frequency of single Pt1 sites was more than 1000 times higher than the pristine ZnO. The results provide valuable insights for the catalysis of the atomically dispersed precious metals on oxide supports.
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