Applied Catalysis2022,Vol.30413.DOI:10.1016/j.apcatb.2021.120992

Investigation of the modes of NO adsorption in Pd/H-CHA

Kim, Paul Van Der Mynsbrugge, Jeroen Aljama, Hassan Lardinois, Trevor M. Gounder, Rajamani Head-Gordon, Martin Bell, Alexis T.
Applied Catalysis2022,Vol.30413.DOI:10.1016/j.apcatb.2021.120992

Investigation of the modes of NO adsorption in Pd/H-CHA

Kim, Paul 1Van Der Mynsbrugge, Jeroen 1Aljama, Hassan 1Lardinois, Trevor M. 2Gounder, Rajamani 2Head-Gordon, Martin 1Bell, Alexis T.1
扫码查看

作者信息

  • 1. Univ Calif
  • 2. Purdue Univ
  • 折叠

Abstract

This study investigates NO adsorption on Pd-exchanged chabazite (Pd/H-CHA), a promising passive NOx adsorber (PNA) for capturing cold-start NOx emissions of gasoline-and diesel-powered vehicles. Temperature programed desorption (TPD) and IR spectroscopy are combined with theoretical calculations to elucidate how and where NO is stored, and how water and O-2 affect this process. NO adsorption on Pd/H-CHA produces two TPD features, around 423 and 753 K, and IR bands centered at 1860 and 1810 cm(-1). Calculated NO stretching frequencies and maximum-desorption temperatures reveal that Pd2+ and Pd+ sites are responsible for these low and high-temperature features, respectively, and that while the IR feature at 1810 cm(-1) is due to NO adsorption on Pd+, the 1860 cm(-1) feature contains contributions from both weakly-bound NO on Pd2+ and more strongly bound NO on Pd+, consistent with experimentally observed effects of water and O-2.

Key words

Passive NOx adsorption/Zeolites/IR spectroscopy/QM/MM/PASSIVE NOX/LOW-TEMPERATURE/CATALYTIC-PROPERTIES/QM/MM SIMULATIONS/PERFORMANCE/ADSORBERS/IR/CO/ACTIVATION/PARAMETERS

引用本文复制引用

出版年

2022
Applied Catalysis

Applied Catalysis

ISSN:0926-3373
被引量14
参考文献量52
段落导航相关论文