催化作用
工作职能
氨
金属
化学
电子转移
兴奋剂
工作(物理)
选择性
密度泛函理论
无机化学
氧化还原
化学工程
材料科学
光化学
计算化学
有机化学
热力学
物理
工程类
光电子学
作者
Yan Zhang,Meng Wang,Qing Li,Min Zhang,Caixia Liu,Qingling Liu,Weichao Wang,Ziyin Zhang,Rui Han,Na Ji
标识
DOI:10.1021/acs.est.3c06691
摘要
N2O is a common byproduct in the selective catalytic oxidation of ammonia, and its generation often needs to be inhibited due to its strong greenhouse effect. In this paper, using Ag/ZSO-Y as a model catalyst, the N2O selectivity was reduced by 30% through modulation of the electron metal–support interaction. The results demonstrate that the work function of the support can be regulated by the content of the doping element. As the Zr content increases in SnO2, the work function of the support decreases. Moreover, there is a positive correlation between the charge transfer amount and the work function of the support. A series of in situ DRIFTS and density functional theory calculations revealed that the –NO and –N reactions are the primary pathways for N2O formation. By adjustment of the work function of the support through varying the Zr doping level, the electronic structure of Ag NPs was further tuned, resulting in an increased reaction energy barrier for –NO and –N reactions, effectively suppressing N2O formation.
科研通智能强力驱动
Strongly Powered by AbleSci AI