高岭石
催化作用
氧气
金属
氧化物
材料科学
纳米颗粒
密度泛函理论
空位缺陷
化学工程
钴
化学物理
无机化学
化学
纳米技术
计算化学
结晶学
冶金
有机化学
工程类
生物化学
作者
Qihang Zhao,Liangjie Fu,Denghui Jiang,Jing Ouyang,Yuehua Hu,Huaming Yang,Yunfei Xi
标识
DOI:10.1038/s42004-019-0112-9
摘要
Abstract The formation of oxygen vacancies is one of the most critical factors that can improve the electronic and catalytic properties of metal oxides, in which an important challenge is to lower the formation energy of oxygen vacancies at the interface structure. Here we show that clay surfaces rich with hydroxyl groups can induce the formation of oxygen vacancies in metal oxide catalysts. Based on density functional theory calculations, kaolinite is shown to hinder the surface dehydration process of Co 3 O 4 nanoparticles, and enhances the charge transfer process at the interface by the highly diffusible protons. Experimental results confirm that vacancy-rich Co 3 O 4 is easily produced by a reduction method and kaolinite enhances the formation of oxygen vacancies and divalent cobalt on the nanoparticle surface. As expected, the defective Co 3 O 4 /kaolinite exhibits enhanced catalytic and electrocatalytic performances. This finding provides an improved way to design efficient clay-based catalysts.
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