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.

doi:10.1016/j.apcatb.2021.120992

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

Journal Article · Mon Dec 06 00:00:00 EST 2021 · Applied Catalysis. B, Environmental

DOI:https://doi.org/10.1016/j.apcatb.2021.120992· OSTI ID:1845289

Kim, Paul ^[1]; Van der Mynsbrugge, Jeroen ^[2]; Aljama, Hassan ^[2]; Lardinois, Trevor M. ^[3]; Gounder, Rajamani ^[3]; Head-Gordon, Martin ^[4]; Bell, Alexis T. ^[4]

Univ. of California, Berkeley, CA (United States); University of California, Berkeley
Univ. of California, Berkeley, CA (United States)
Purdue Univ., West Lafayette, IN (United States)
Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

This study investigates NO adsorption on Pd-exchanged chabazite (Pd/H-CHA), a promising passive NO_x adsorber (PNA) for capturing cold-start NO_x emissions of gasoline- and diesel-powered vehicles. Here, temperature-programed desorption (TPD) and IR spectroscopy are combined with theoretical calculations to elucidate how and where NO is stored, and how water and O₂ 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 O₂.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Kentucky, Lexington, KY (United States)

Sponsoring Organization:: National Institutes of Health (NIH); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office

Grant/Contract Number:: EE0008213

OSTI ID:: 1845289

Journal Information:: Applied Catalysis. B, Environmental, Journal Name: Applied Catalysis. B, Environmental Vol. 304; ISSN 0926-3373

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Investigation of the modes of NO adsorption in Pd/H-CHA

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