段老师在SCI期刊Journal of Catalysis发表论文

段老师参与完成的论文 “Origin of the superior activity of surface doped SmMn2O5 mullites for NO oxidation: A first-principles based microkinetic study” 在 Journal of Catalysis 期刊发表。

该文章基本信息如下：

• 标题：Origin of the superior activity of surface doped SmMn2O5 mullites for NO oxidation: A first-principles based microkinetic study

• 作者：Jiaqiang Yang, Jie Zhang, Xiao Liu, Xianbao Duan, Yanwei Wen, Rong Chen, Bin Shan

• 摘要：Using first-principles based microkinetic analysis, we conduct a comprehensive investigation on the NO oxidation process on SmMn2O5 mullite’s active surface under experimentally relevant conditions. The influencing factor for NO oxidation activity is identified and Mars-van Krevelen (MvK) and Eley-Rideal (ER) mechanisms are found to contribute to the high activity of pristine SmMn2O5 mullites in high and low temperature regions, respectively. We further study the activity of surface (Ba/Sr/La) doped SmMn2O5. It is found that surface doping of Ba primarily destabilizes the nitrite (NO?) species to promote NO oxidation performance via MvK mechanism. Due to the stronger ability of O2 (O2?) dissociation along the ER route, Sr and La doped mullites are predicted to have greatly enhanced reaction activity in a wide temperature region. Our study gives insight into the NO oxidation ability of pristine and surface doped SmMn2O5 that are beneficial for further optimization of mullite based catalyst performance.

• 期刊：Journal of Catalysis

• 链接：https://www.sciencedirect.com/science/article/pii/S0021951718300095

Journal of Catalysis 影响因子在2017年影响因子为6.844，在中科院分区中属于工程技术大类1区期刊。