Badawi M - Search Results

1

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

Komaty S , Daouli A , Badawi M , Anfray C , Zaarour M , Valable S , Mintova S . Komaty S , et al. Among authors: badawi m. Phys Chem Chem Phys. 2020 May 14;22(18):9934-9942. doi: 10.1039/d0cp00111b. Epub 2020 Apr 23. Phys Chem Chem Phys. 2020. PMID: 32322847

2

A DFT study of RuO₄ interactions with porous materials: metal-organic frameworks (MOFs) and zeolites.

Chibani S , Badawi M , Loiseau T , Volkringer C , Cantrel L , Paul JF . Chibani S , et al. Among authors: badawi m. Phys Chem Chem Phys. 2018 Jun 20;20(24):16770-16776. doi: 10.1039/c8cp01950a. Phys Chem Chem Phys. 2018. PMID: 29888355

3

Understanding the Fundamentals of Microporosity Upgrading in Zeolites: Increasing Diffusion and Catalytic Performances.

Qin Z, Zeng S, Melinte G, Bučko T, Badawi M, Shen Y, Gilson JP, Ersen O, Wei Y, Liu Z, Liu X, Yan Z, Xu S, Valtchev V, Mintova S. Qin Z, et al. Among authors: badawi m. Adv Sci (Weinh). 2021 Sep;8(17):e2100001. doi: 10.1002/advs.202100001. Epub 2021 Jul 4. Adv Sci (Weinh). 2021. PMID: 34219412 Free PMC article.

4

Adsorption of water in Na-LTA zeolites: an ab initio molecular dynamics investigation.

Randrianandraina J , Badawi M , Cardey B , Grivet M , Groetz JE , Ramseyer C , Anzola FT , Chambelland C , Ducret D . Randrianandraina J , et al. Among authors: badawi m. Phys Chem Chem Phys. 2021 Sep 14;23(34):19032-19042. doi: 10.1039/d1cp02624k. Epub 2021 Aug 24. Phys Chem Chem Phys. 2021. PMID: 34612441

5

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

Ouahrani T, Daouli A, Badawi M, Bendaoudi L, Morales-García Á, Errandonea D. Ouahrani T, et al. Among authors: badawi m. Dalton Trans. 2022 Jun 27;51(25):9689-9698. doi: 10.1039/d2dt01194h. Dalton Trans. 2022. PMID: 35695885

6

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

Daouli A, Hessou EP, Monnier H, Dziurla MA, Hasnaoui A, Maurin G, Badawi M. Daouli A, et al. Among authors: badawi m. Phys Chem Chem Phys. 2022 Jun 29;24(25):15565-15578. doi: 10.1039/d2cp00553k. Phys Chem Chem Phys. 2022. PMID: 35722820

7

Interplay between alkali-metal cations and silanol sites in nanosized CHA zeolite and implications for CO₂ adsorption.

Ghojavand S, Dib E, Rey J, Daouli A, Clatworthy EB, Bazin P, Ruaux V, Badawi M, Mintova S. Ghojavand S, et al. Among authors: badawi m. Commun Chem. 2023 Jun 29;6(1):134. doi: 10.1038/s42004-023-00918-1. Commun Chem. 2023. PMID: 37386117 Free PMC article.

8

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

Bendaoudi L, Ouahrani T, Daouli A, Rerbal B, Boufatah RM, Morales-García Á, Franco R, Bedrane Z, Badawi M, Errandonea D. Bendaoudi L, et al. Among authors: badawi m. Dalton Trans. 2023 Aug 29;52(34):11965-11980. doi: 10.1039/d3dt01478a. Dalton Trans. 2023. PMID: 37577968

9

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

Zhour K, Daouli A, Postnikov A, Hasnaoui A, Badawi M. Zhour K, et al. Among authors: badawi m. Phys Chem Chem Phys. 2023 Oct 11;25(39):26461-26474. doi: 10.1039/d3cp02205f. Phys Chem Chem Phys. 2023. PMID: 37752811

10

Ab Initio Screening of Divalent Cations for CH₄, CO₂, H₂, and N₂ Separations in Chabazite Zeolite.

Daouli A, Rey J, Lahrar EH, Valtchev V, Badawi M, Guillet-Nicolas R. Daouli A, et al. Among authors: badawi m. Langmuir. 2023 Nov 14;39(45):15962-15973. doi: 10.1021/acs.langmuir.3c01882. Epub 2023 Nov 6. Langmuir. 2023. PMID: 37929920

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