Browsing by Author "Hassan, Walid M.I."

Now showing items 1-3 of 3

    • TDDFT Investigation of the hybrid organic inorganic perovskite: CH 3 NH 3 PbC 3 

      Alwarappan, Ganesh; Padmanabachary, Aashik; Alam, Md Raiyan; Bhandari, Aashka; Patil, Sunil; ... more authors ( Institute of Electrical and Electronics Engineers Inc. , 2019 , Conference Paper)
      Hybrid organic-inorganic metal perovskites (chemical formula: ABX3, A-organic cation, B-metal ion, X-halide) are the latest advancement for increasing efficiency in thin-film solar cells or Dye Solar Cells (DSC). They have ...

    • TDDFT Studies on sheet size-dependency of optoelectronic properties of 2d silicon 

      Alam, MD Raiyan; Alwarappan, Ganesh; Bhandari, Aashka; Patil, Sunil; Alfalah, Sherin; ... more authors ( Institute of Electrical and Electronics Engineers Inc. , 2019 , Conference Paper)
      Silicene, a two-dimensional (2D) silicon nanosheet, has gained immense interest due to potential applications, better compatibility, and expected integration with current silicon (Si) technology. This work explores the ...

    • Theoretical investigation of the oxygen bond dissociation energies in graphene oxide 

      Hassan, Walid M.I.; Verma, Amit; Nekovei, Reza; Jeyakumar, R.; Khader, Mahmoud M. ( Institute of Electrical and Electronics Engineers Inc. , 2016 , Conference Paper)
      The theoretical vibrational spectrum, oxygen bond dissociation energies (BDE), atomic charges and hydrogen bonding has been investigated using wB97XD/6-31g(d) method of calculation. The order of BDE for C-O comes in the ...