An ab initio study of the electronic structure of indium and gallium chalcogenide bilayers T Ayadi, L Debbichi, M Said, S Lebègue The Journal of chemical physics 147 (11), 2017 | 28 | 2017 |
An ab initio study of the electronic properties of the ferroelectric heterostructure In2Se3/Bi2Se3 T Ayadi, L Debbichi, M Badawi, M Said, D Rocca, S Lebègue Applied Surface Science 538, 148066, 2021 | 24 | 2021 |
An ab initio study of the ferroelectric In2Se3/graphene heterostructure T Ayadi, L Debbichi, M Badawi, M Said, H Kim, D Rocca, S Lebègue Physica E: Low-dimensional Systems and Nanostructures 114, 113582, 2019 | 19 | 2019 |
Physica E Low Dimens T Ayadi, L Debbichi, M Badawi, M Said, H Kim, D Rocca, S Lebègue Syst. Nanostruct 114, 113582, 2019 | 11 | 2019 |
Rational approach for an optimized formulation of silver-exchanged zeolites for iodine capture from first-principles calculations T Ayadi, M Badawi, L Cantrel, S Lebègue Molecular Systems Design & Engineering 7 (5), 422-433, 2022 | 9 | 2022 |
Stacking effect on electronic properties of InSe/blue phosphorene and GaSe/blue phosphorene heterostructures from first-principles T Ayadi, M Badawi, M Said, S Lebègue Physica E: Low-dimensional Systems and Nanostructures 139, 115115, 2022 | 3 | 2022 |
Ab initio molecular dynamics investigation of the co-adsorption of iodine species with CO and H 2 O in silver-exchanged chabazite T Ayadi, S Lebègue, M Badawi Physical Chemistry Chemical Physics 24 (40), 24992-24998, 2022 | 2 | 2022 |
Ab initio study of the thermodynamic properties of the Li6PS5Cl solid electrolyte T Ayadi, M Nastar, F Bruneval 20th Symposium on Modeling and Experimental Validation of Electrochemical …, 2024 | | 2024 |
Bi-based bracelet-like monolayer with negative in-plane Poisson’s ratio and enhanced photocatalytic performance: a first-principles study N Kedidi, T Ayadi, M Debbichi Journal of Physics: Condensed Matter 36 (20), 205503, 2024 | | 2024 |
Predicting Novel 2D AsBiX3 (X = S, Se, and Te) Auxetic Monolayers with Favorable Optical and Photocatalytic Water-Splitting Properties K Naoures, A Tarek, D Mourad, L Sébastien ACS Applied Electronic Materials 5 (11), 5841-5851, 2023 | | 2023 |
Lattice dynamics and pressure induced metallization of solid iodanil (C6I4O2) studied using density functional theory S Mondal, T Ayadi, S Lebègue, MK Gupta, R Mittal, G Vaitheeswaran Physica Scripta 98 (7), 075918, 2023 | | 2023 |
Molecular Systems Design & Engineering rsc. li/molecular-engineering J Prakash, DNW Samriti, I Rajapaksa, WK Chu, T Ayadi, M Badawi, ... | | 1988 |