• Effect of the length of silicon nano-dot/wire on band gap 

      Hassan, Walid M.I.; Verma, Amit; Nekovei, Reza; Khader, Mahmoud M.; Anantram, M. P. ( Institute of Electrical and Electronics Engineers Inc. (IEEE) , 2014 , Conference Paper)
      We will report on the role of the length of silicon nanowire (SNW) in determining the band gap of a structure. We find that the band gap decreases with SNW length for the same diameter and approaches the band gap for an ...
    • Oxygen passivation as effective technique for tailoring the nature of band gap of silicon nanowires 

      Hassan, Walid M.I.; Khader, Mahmoud M.; Verma, Amit; Nekovei, Reza; Anantram, M. P. ( Institute of Electrical and Electronics Engineers Inc. (IEEE) , 2015 , Conference Paper)
      Silicon nanowires have been subjected to several experiential and theoretical studies, including chemical tuning with different substituents aiming to tailor the band gap as well as increasing optical absorption efficiency ...
    • 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 ...