A systematic DFT screening of cationic faujasite-type zeolites for the adsorption of NO, NO<sub>2</sub> and H<sub>2</sub>O-Reference-Cited by-同舟云学术

A systematic DFT screening of cationic faujasite-type zeolites for the adsorption of NO, NO₂ and H₂O

Published:2023 Issue:9 Volume:8 Page:1165-1181
ISSN:2058-9689
Container-title:Molecular Systems Design & Engineering
language:en
Short-container-title:Mol. Syst. Des. Eng.

Author:

Karamanis Ioannis¹²,Daouli Ayoub²^ORCID,Monnier Hubert¹^ORCID,Dziurla Marie-Antoinette³^ORCID,Maurin Guillaume⁴^ORCID,Badawi Michael²³^ORCID

Affiliation:

1. Institut National de Recherche et de Sécurité, 1 Rue du Morvan, CS60027, 54519 Vandœuvre-lès-Nancy Cedex, France

2. Laboratoire de Physique et Chimie Théoriques, UMR CNRS 7019, Université de Lorraine, F-54000, Nancy, France

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

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

Abstract

Unlocking the selective adsorption of NO and NO2 in presence of H2O in cationic zeolites: a systematic DFT screening of key questions and properties.

Funder

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Industrial and Manufacturing Engineering,Process Chemistry and Technology,Energy Engineering and Power Technology,Biomedical Engineering,Chemical Engineering (miscellaneous),Chemistry (miscellaneous)

Link

http://pubs.rsc.org/en/content/articlepdf/2023/ME/D3ME00044C

Reference83 articles.

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