BADAWI M.

Publications

Articles répertoriés avec comité de lecture (Actes de conférences précisés)

• 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.
  Physical Chemistry Chemical Physics 25, 26461-26474 (2023)
• Comparative study of structural and electronic properties of GaSe and InSe polytypes
  SROUR J., BADAWI M., EL HAJ HASSAN F., POSTNIKOV A.
  The Journal of Chemical Physics 149, 054106, (2018)
• Competing Structures in (In,Ga)Se and (In,Ga)2Se3 Semiconductors
  SROUR J., POSTNIKOV A., BADAWI M., EL HAJ HASSAN F.
  (acte de conférence 20th International Conference on Ternary and Multinary Compounds, Sep 5 - 9, 2016, Halle (Saale) https://ictmc20.uni-halle.de) Physica Status Solidi (b) 254, 6, 1700120 (2017)
• Evaluation of volatile iodine trapping in presence of contaminants: A periodic DFT study on cation exchanged-faujasite
  CHEBBI M., CHIBANI S., PAUL J.F., CANTREL L., BADAWI M.
  Microporous and Mesoporous Materials 239, 111-122 (2017)
• Impact of the Si/Al ratio on the selective capture of iodine compounds in silver-mordenite: a periodic DFT study
  CHIBANI S., CHEBBI M., LEBEGUE S., CANTREL L., BADAWI M.
  Physical Chemistry Chemical Physics 18, 25574-25581 (2016)
• A DFT investigation of the adsorption of iodine compounds and water in H-, Na-, Ag-, and Cu- mordenite
  CHIBANI S., CHEBBI M., LEBEGUE S., BUCKO T., BADAWI M.
  The Journal of Chemical Physics 144, 244705, (2016)
• Crystal structure and energy bands of (Ga/In)Se and Cu(In,Ga)Se2 semiconductors in comparison
  SROUR J., BADAWI M., EL HAJ HASSAN F., POSTNIKOV A.
  (acte de conférence 17th International Conference on II-VI Compounds and Related Material) - Physica Status Solidi (b) 253, 8, 1472-1475 (2016)
• Hydrodeoxygenation of Phenolic Compounds by Sulfided (Co)Mo/Al2O3 Catalysts, a Combined Experimental and Theoretical Study.
  BADAWI M., PAUL J.F., PAYEN E., ROMERO Y., RICHARD F., BRUNET S., POPOV A., KONDRATIEVA E., GILSON J.P., MARIEY L., TRAVERT A., MAUGE F.
  Oil & Gas Science and Technology. 68, 5, 829-840 (2013)
• A DFT study of the hematite surface state in the presence of H2, H2O and O2
  SOUIVI S.M.O., BADAWI M., PAUL J.F., CRISTOL S., CANTREL L.
  Surface Science 610, 7-15 (2013)
• N-Heptane cracking over mixtures of HY and HZSM-5 zeolites: Influence of the presence of phenol
  GRAÇA I., LOPES J.M., RIBEIRO M.F., BADAWI M., LAFORGE S., MAGNOUX P., RAMÖA RIBEIRO F.
  Fuel 94, 571-577 (2012)
• Ab initio calculations and iodine kinetic modeling in the reactor coolant system of a pressurized water reactor in case of severe nuclear accident
  XERRI B., CANNEAUX S., LOUIS F., TRINCAL J., COUSIN F., BADAWI M., CANTREL L.
  Computational and Theoretical Chemistry 990, 194-208 (2012)
• Molecular structures and thermodynamic properties of 12 gaseous cesium-containing species of nuclear safety interest: Cs 2, CsH, CsO, Cs 2O, CsX, and Cs 2X 2 (X = OH, Cl, Br, and I)
  BADAWI M., XERRI B., CANNEAUX S., CANTREL L., LOUIS F.
  Journal of Nuclear Materials 420, 1-3, 452-462 (2012)
• Guaiacol derivatives and inhibiting species adsorption over MoS2 and CoMoS catalysts under HDO conditions: A DFT study
  BADAWI M., PAUL J.F., CRISTOL S., PAYEN E.
  Catalysis Communications 12, 10, 901-905 (2011)
• Effect of water on the stability of Mo and CoMo hydrodeoxygenation catalysts: A combined experimental and DFT study
  BADAWI M., PAUL J.F., CRISTOL S., PAYEN E., ROMERO Y., RICHARD F., BRUNET S., LAMBERT D., PORTIER X., POPOV A., KONDRATIEVA E., GOUPIL J.M., EL FALLAH J., GILSON J.P., MARIEY L., TRAVERT A., MAUGE F.
  Journal of Catalysis 282, 1, 155-164 (2011)
• Kinetic study of olefin hydrogenation on hydrotreating catalysts
  BADAWI M., VIVIER L., DUPREZ D.
  Journal of Molecular Catalysis A: Chemical 320, 1-2, 34-39 (2010)

Autres

• Etudes et développement d’adsorbants innovants – Filtres types zéolithe
  CHEBBI M., BADAWI M., AZAMBRE B., FINQUENEISEL G., ZIMNY T.
  (Projet MIRE) - présenté oralement - Réunion Lancement ANR PIA2 Mire, Fontenay aux Roses, 16 Septembre 2013 (2013)
• SOAR contribution for iodine filtration by porous materials and especially zeolite
  CANTREL L., CHEBBI M., BADAWI M., AZAMBRE B., FINQUENEISEL G.
  (Projet PASSAM) - présenté oralement - Passam SOAR Meeting, Espoo Finlande, 25 June 2013 (2013)

Communications par affiche dans un congrès national ou international

• Trapping of unburnt hydrocarbons for "cold-start" applications: screening of zeolitic materials
  WESTERMANN A., AZAMBRE B., BADAWI M., FINQUENEISEL G., DA COSTA P., RIBEIRO M.F., CAN F.
  EUROPACAT XI – Lyon 2013 (2013)

Communications orales dans un congrès national ou international

• Iodine trapping by porous materials to mitigate radioactive releases to the environment
  AZAMBRE B., BADAWI M., CANTREL L., CHEBBI M., LEROY O., LOISEAU T., MONSANGLANT-LOUVET C., VOLKRINGER C.
  The 9TH European Review Meeting on Severe Accident Research (ERMSAR2019) Prague (République Tchèque) Clarion Congress Hotel, Prague, March 18-20 (2019)
• Assessment of plausible In2Se3 structures and of ab initio methods for their analysis
  POSTNIKOV A., BADAWI M., LEBEGUE S.
  European Materials Research Society (EMRS) 2017 Fall Meeting, Varsovie (Pologne), septembre 18-21, 2017, Symposium J (2017)
• Accurate ground-state correlation energies within the RPA and beyond: Theory and applications to molecules and zeolites
  DIXIT A., BADAWI M., BUCKO T., LEBEGUE S., ANGYAN J.G., ROCCA D.
  Chemical Physics Conference 2016, Nancy (France) October 17-20, 2016 (2016)
• Use of density functional theory to design optimized zeolites for the selective capture iodine species in case of nuclear severe accident
  BADAWI M., CHIBANI S., BUCKO T., CHEBBI M., LEBEGUE S., CANTREL L.
  Chemical Physics Conference 2016, Nancy (France) October 17-20, 2016 (2016)
• Competing Structures and Lattice Dynamics in (In,Ga)Se and (In,Ga)2Se3 Semiconductors
  SROUR J., POSTNIKOV A., BADAWI M., EL HAJ HASSAN F.
  20th International Conference on Ternary and Multinary Compounds ICTMC-20, Halle (Germany) September 5-9, 2016 (2016)
• Design by ab initio methods of faujasite zeolites to selectively capture iodine species for nuclear safety
  BADAWI M., CHEBBI M., CHIBANI S., BUCKO T., LEBEGUE S., CANTREL L.
  2nd International Workshop on Advanced Materials CFWAM-2, Metz (France) August 31 - September 2, 2016 (2016)
• Hydrodésoxygénation du furane et de deux de ses dérivés sur du sulfure de molybdène
  KANHOUNNON W.G., BADAWI M., ATOHOUN G.S., KUEVI U.A., KPOTIN G.A., HOUNGUE-KPOTA A., PAUL J.F., MENSAH J.B.
  17èmes Journées Scientifiques Annuelles de la Société Ouest Africaine de Chimie – SOACHIM 2016, Cotonou (Bénin) 2-5 Août 2016 (2016)
• Assessment of first-principles structure optimisations, their impact on the band structures, and relative stability of polytypes in GaSe and InSe semiconductors
  POSTNIKOV A., SROUR J., BADAWI M., EL HAJ HASSAN F.
  80th Annual Conference of Deutsche Physikalische Gesellschaft – DPG 2016, Regensburg (Germany) March 6-11, 2016 (2016)
• Dispersion corrected Kohn-Sham: simple model from first principles and benchmarking by hydrocarbon adsorption energies in zeolites
  ANGYAN J.G., BADAWI M., BUCKO T.
  14th Central European Symposium on Theoretical Chemistry – CESTC 2015, Banska Bystrica (Slovakia) September 6-9, 2015 (2015)
• Adsorption of iodine compounds over zeolite frameworks in the case of nuclear severe accident: a theoretical study
  CHIBANI S., CHEBBI M., BADAWI M.
  6th International Symposium on Microporous and Advanced Materials, Sunset Black Sea, Burgas, Bulgaria, September 2015 (2015)
• Dispersion corrected DFT: adsorption of hydrocarbons in zeolites
  ANGYAN J.G., BADAWI M., BUCKO T.
  16th International Conference on Density Functional Theory and its Applications – DFT 2015, Debrecen (Hungary), August 31 - September 4, 2015 (2015)
• Using of zeolites for iodine species trapping : potential benefits and strategy of study
  CHEBBI M., AZAMBRE B., BADAWI M., FINQUENEISEL G., ZIMNY T.
  PASSAM 1st Workshop on source term mitigation of severe accidents – Madrid (Espagne) Février 2014 (2014)
• Trapping of unburnt hydrocarbons for "cold-start" applications: Screening of zeolitic materials
  WESTERMANN A., AZAMBRE B., BADAWI M., FINQUENEISEL G., DA COSTA P., RIBEIRO M.F., CAN F.
  EUROPACAT XI – Lyon 2013 (2013)
• In the search of a Hydrocarbon-Trap for "cold-start" applications: influence of the zeolitic structure
  WESTERMANN A., AZAMBRE B., BADAWI M., FINQUENEISEL G., DA COSTA P., RIBEIRO M.F., CAN F.
  ROMCAT – Cluj-Napoca (Roumanie) Mai 2013 (2013)
• Presentation of adsorption and catalysis facilities at the LCP-A2MC – Université de Lorraine – France
  AZAMBRE B., BADAWI M., BURG P., FINQUENEISEL G., ZIMNY T.
  GDRI meeting, Kazimierz Dolny (Pologne) Septembre 2012. Proceeding ISBN 978-83-926523-5-9 p. 163-164 (2012)
• Trapping of unburnt hydrocarbons for « cold-start » applications : screening of zeolitic materials
  WESTERMANN A., AZAMBRE B., FINQUENEISEL G., BADAWI M., DA COSTA P., RIBEIRO F.
  GDRI meeting, Kazimierz Dolny (Pologne) Septembre 2012. Proceeding ISBN 978-83-926523-5-9 p. 1-2 (2012)

Conférences invitées dans un congrès national ou international

• Iodine trapping by porous materials to mitigate radioactive releases to the environment
  AZAMBRE B., BADAWI M., CANTREL L., CHEBBI M., LEROY O., LOISEAU T., MONSANGLANT-LOUVET C., VOLKRINGER C.
  The 9TH European Review Meeting on Severe Accident Research (ERMSAR2019) Prague (République Tchèque) Clarion Congress Hotel, Prague, Czech Republic, March 18-20 (2019) (2019)
• Modélisation ab initio de l’adsorption dans les zéolithes pour la dépollution de l’air
  BADAWI M.
  Université d’Abomey Calavi, Cotonou (Bénin) (Pr Mensah, Pr Atohoun), 11 Novembre 2016. (2016)
• Application of van der Waals corrected DFT methods in physics and chemistry : from the calculation of cell parameters to the adsorption of hydrocarbons into zeolites
  BADAWI M.
  Saarland University, Saarbrucken (Allemagne) (Pr Springbörg), December, 7th 2015. (2015)
• Theoretical chemistry tools for adsorption and catalysis - applications for depollution, biomass valorization and nuclear safety
  BADAWI M.
  Comenius University, Bratislava (Slovaquie) (Dr Bucko), April, 23th 2015. (2015)