LEBEGUE S.

Publications

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

• 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)

Communications orales dans un congrès national ou international

• 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)
• 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)