Ayoub Daouli - Dissemin

All papers authored by Ayoub Daouli

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Younes Dehmani, Juliette Lainé, Ayoub Daouli

, Lotfi Sellaoui, Adrián Bonilla-Petriciolet, Taibi Lamhasni, Sadik Abouarnadasse, Michael Badawi

Unravelling the adsorption mechanism of phenol on zinc oxide at various coverages via statistical physics, artificial neural network modeling and ab initio molecular dynamics

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Ioannis Karamanis, Ayoub Daouli

, Hubert Monnier

, Marie-Antoinette Dziurla

, Guillaume Maurin

, Michael Badawi

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

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Kazem Zhour

, Ayoub Daouli

, Andrei Postnikov

, Abdellatif Hasnaoui

, Michael Badawi

Potential of nanostructured carbon materials for iodine detection in realistic environments revealed by first-principles calculations

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L. Bendaoudi, T. Ouahrani

, A. Daouli

, B. Rerbal

, R. M. Boufatah

, Á. Morales-García

, R. Franco, Z. Bedrane, M. Badawi

, D. Errandonea

Electronic and electrocatalytic properties of PbTiO₃: unveiling the effect of strain and oxygen vacancy

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This paper is made freely available by the publisher.

2022 Karuppasamy Gopalsamy, Mohammad Wahiduzzaman, Ayoub Daouli

, Michael Badawi

, Guillaume Maurin

Computational Exploration of a Metal(II) Catecholate-Functionalized UiO-66 Nanoporous Metal–Organic Framework for Effective NO_x Capture

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A. Bouheddadj, A. Daouli

, T. Ouahrani

, R. M. Boufatah

, M. Badawi

Unveiling the electronic properties of the Janus HfSSe monolayer and its partially oxygenated counterparts from ab initio calculations

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Eddy Dib

, Jérôme Rey, Aurelie Vicente, Shrikant Kunjir, Hussein Awala, Sarah Komaty, Ayoub Daouli

, Tomáš Bučko, Hussein El Siblani, Robert Bedard, Jeffery Bricker, Jean-Pierre Gilson, Michael Badawi, Svetlana Mintova

Access to sodalite cages in ion-exchanged nanosized FAU zeolites probed by hyperpolarized 129Xe NMR and DFT calculations

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Zahira El khalidi, Ayoub Daouli

, Hicham Jabraoui, Bouchaib Hartiti, Amal Bouich, Bernabé Marí Soucase, Elisabetta Comini

, Hashitha M. M. Munasinghe Arachchige, Salah Fadili, Philippe Thevenin, Abderrafi Kamal, Abdellatif Hasnaoui

, Michael Badawi

Impact of Sn doping on the hydrogen detection characteristics of ZnO thin films: Insights from experimental and DFT combination

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Ayoub Daouli

, Etienne Paul Hessou

, Hubert Monnier, Marie-Antoinette Dziurla

, Abdellatif Hasnaoui

, Guillaume Maurin

, Michael Badawi

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

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Tarik Ouahrani

, Ayoub Daouli

, Michael Badawi

, Loubna Bendaoudi, Ángel Morales-García

, Daniel Errandonea

Understanding the thermodynamic, dynamic, bonding, and electrocatalytic properties of low-dimensional MgPSe₃

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2020 Sarah Komaty, Ayoub Daouli

, Michael Badawi

, Clément Anfray, Moussa Zaarour

, Samuel Valable, Svetlana Mintova

Incorporation of trivalent cations in NaX zeolite nanocrystals for the adsorption of O2 in the presence of CO2

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All papers authored by Ayoub Daouli