Adsorption of NO, NO<sub>2</sub> and H<sub>2</sub>O in divalent cation faujasite type zeolites: a density functional theory screening approach-Reference-Cited by-同舟云学术

Adsorption of NO, NO₂ and H₂O in divalent cation faujasite type zeolites: a density functional theory screening approach

Published:2022 Issue:25 Volume:24 Page:15565-15578
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Daouli Ayoub¹²,Hessou Etienne Paul¹^ORCID,Monnier Hubert³,Dziurla Marie-Antoinette⁴^ORCID,Hasnaoui Abdellatif²^ORCID,Maurin Guillaume⁵^ORCID,Badawi Michael¹⁴^ORCID

Affiliation:

1. Laboratoire de Physique et Chimie Théoriques, CNRS, Université de Lorraine, Vandœuvre-lès-Nancy, France

2. LS2ME – Polydisciplinary Faculty of Khouribga –Sultan Moulay Slimane University of Beni Mellal, Khouribga, Morocco

3. INRS Institut National de Recherche et de Sécurité, Vandœuvre-lès-Nancy, France

4. IUT de Moselle-Est, Université de Lorraine, Saint-Avold, France

5. ICGM, Université de Montpellier, CNRS, ENSCM, Montpellier, France

Abstract

We show by DFT calculations that emissions of NOx in confined work environments could be mitigated by PtY zeolite.

Funder

Agence Nationale de la Recherche

European Regional Development Fund

Campus France

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP00553K

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