Effect of sodium oxide modifier on structural and elastic properties of silicate glass H Jabraoui, Y Vaills, A Hasnaoui, M Badawi, S Ouaskit
The Journal of Physical Chemistry B 120 (51), 13193-13205, 2016
86 2016 Adsorption of volatile organic and iodine compounds over silver-exchanged mordenites: A comparative periodic DFT study for several silver loadings H Jabraoui, EP Hessou, S Chibani, L Cantrel, S Lebègue, M Badawi
Applied Surface Science 485, 56-63, 2019
74 2019 Molecular dynamics simulation of thermodynamic and structural properties of silicate glass: Effect of the alkali oxide modifiers H Jabraoui, EM Achhal, A Hasnaoui, JL Garden, Y Vaills, S Ouaskit
Journal of Non-Crystalline Solids 448, 16-26, 2016
68 2016 Proton mobility, intrinsic acid strength, and acid site location in zeolites revealed by varying temperature infrared spectroscopy and density functional theory studies P Losch, HR Joshi, O Vozniuk, A Grünert, C Ochoa-Hernández, ...
Journal of the American Chemical Society 140 (50), 17790-17799, 2018
66 2018 Selective capture of phenol from biofuel using protonated faujasite zeolites with different Si/Al ratios I Khalil, H Jabraoui, G Maurin, S Lebègue, M Badawi, K Thomas, F Mauge
The Journal of Physical Chemistry C 122 (46), 26419-26429, 2018
55 2018 Ab Initio screening of cation-exchanged zeolites for biofuel purification H Jabraoui, I Khalil, S Lebègue, M Badawi
Molecular Systems Design & Engineering, 2019
44 2019 Biofuel purification: Coupling experimental and theoretical investigations for efficient separation of phenol from aromatics by zeolites I Khalil, H Jabraoui, S Lebègue, WJ Kim, LJ Aguilera, K Thomas, F Maugé, ...
Chemical Engineering Journal 402, 126264, 2020
39 2020 Thermodynamic and structural properties of binary calcium silicate glasses: insights from molecular dynamics H Jabraoui, M Malki, A Hasnaoui, M Badawi, S Ouaskit, S Lebègue, ...
Physical Chemistry Chemical Physics 19 (29), 19083-19093, 2017
36 2017 Selective elimination of phenol from hydrocarbons by zeolites and silica-based adsorbents—Impact of the textural and acidic properties I Khalil, K Thomas, H Jabraoui, P Bazin, F Maugé
Journal of hazardous materials 384, 121397, 2020
35 2020 Modeling and simulations of nanofluids using classical molecular dynamics: Particle size and temperature effects on thermal conductivity EM Achhal, H Jabraoui, S Zeroual, H Loulijat, A Hasnaoui, S Ouaskit
Advanced Powder Technology 29 (10), 2434-2439, 2018
35 2018 A first principle evaluation of the adsorption mechanism and stability of volatile organic compounds into NaY zeolite EP Hessou, H Jabraoui, MTAK Hounguè, JB Mensah, M Pastore, ...
Zeitschrift Für Kristallographie-Crystalline Materials 234 (7-8), 469-482, 2019
31 2019 Leaching and reactivity at the sodium aluminosilicate glass–water interface: insights from a ReaxFF molecular dynamics study H Jabraoui, S Gin, T Charpentier, R Pollet, JM Delaye
The Journal of Physical Chemistry C 125 (49), 27170-27184, 2021
28 2021 Elastic and structural properties of low silica calcium aluminosilicate glasses from molecular dynamics simulations H Jabraoui, M Badawi, S Lebègue, Y Vaills
Journal of Non-Crystalline Solids 499, 142-152, 2018
28 2018 Atomic insights into the events governing the borosilicate glass–water interface H Jabraoui, T Charpentier, S Gin, JM Delaye, R Pollet
The Journal of Physical Chemistry C 125 (14), 7919-7931, 2021
27 2021 Ab initio screening of zeolite Y formulations for efficient adsorption of thiophene in presence of benzene EP Hessou, H Jabraoui, I Khalil, MA Dziurla, M Badawi
Applied Surface Science 541, 148515, 2021
26 2021 From graphene to graphene oxide: the importance of extended topological defects AJ Marsden, M Skilbeck, M Healey, HR Thomas, M Walker, RS Edwards, ...
Physical Chemistry Chemical Physics 24 (4), 2318-2331, 2022
24 2022 Atomic scale insights into the first reaction stages prior to Al/CuO nanothermite ignition: influence of porosity H Jabraoui, A Esteve, M Schoenitz, EL Dreizin, C Rossi
ACS applied materials & interfaces 14 (25), 29451-29461, 2022
21 2022 Effects of cooling rate on the glass formation process and the microstructural evolution of Silver mono-component metallic glass O Bajjou, H Jabraoui, J Louafi, M Mazroui, Y Lachtioui
Chemical Physics 569, 111873, 2023
18 2023 Initial stage of titanium oxidation in Ti/CuO thermites: a molecular dynamics study using ReaxFF forcefields H Jabraoui, A Estève, S Hong, C Rossi
Physical Chemistry Chemical Physics 25 (16), 11268-11277, 2023
18 2023 First-principles investigation of CuO decomposition and its transformation into H Jabraoui, M Djafari Rouhani, C Rossi, A Esteve
Physical Review Materials 6 (9), 096001, 2022
17 2022 
Michael BadawiUniversité de LorraineBestätigte E-Mail-Adresse bei univ-lorraine.fr
