烟灰
催化作用
贵金属
铈
吸附
氧化铈
无机化学
解吸
材料科学
离解(化学)
兴奋剂
氧气
键能
化学
化学工程
催化氧化
分子
物理化学
有机化学
工程类
燃烧
光电子学
作者
Yunhua Zhang,Yujing Zhang,Diming Lou,Piqiang Tan,Zhiyuan Hu,Liang Fang,Yi Lin
标识
DOI:10.1016/j.jece.2024.114020
摘要
Non-noble metal catalysts have great potential for controlling soot emissions due to their effective oxidation properties and low cost. This study investigated the characteristics of Cs-V-based non-noble metal soot catalyst and Ce doping enhancement effect through comprehensive characterization of physicochemical properties, catalytic activity evaluation, and density functional theory (DFT) theoretical calculations. The results demonstrate that Ce doping improves the degree of surface particle aggregation and the spatial distribution morphology of Cs-V-based catalyst, with a 36.7% increase in the specific surface area. Additionally, Ce doping enhances the probability of oxygen adsorption and dissociation activation on the Cs-V-based catalyst, accelerating the soot-oxidation process, improving the soot-oxidation activity, with a decrease in the characteristic temperature T10 (temperature at 10% conversion rate of soot) from 349.7 ℃ to 281.1 ℃, and decreases the activation energy for soot-oxidation to 5.8 kJ/mol. DFT calculations reveal that Ce doping strengthens the pulling effect of interatomic chemical bonds, facilitating the removal of oxygen atoms and dissociated reactive oxygen (Oasd), resulting in an increase in the adsorption energy of C4 molecules and a shorter bond length between C4 molecules and the catalytic surface, facilitating the desorption of post-oxidation soot products.
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