Elektronik ve Haberleşme Mühendisliği Bölümü Yayın Koleksiyonu

Permanent URI for this collectionhttps://hdl.handle.net/20.500.12416/260

Browse

Filters

20082

Settings

Author: search.filters.author.Böyükata, MustafaPublication Index: search.filters.publicationIndex.WoS

Search Results

Now showing 1 - 2 of 2
  • Article
    Citation - WoS: 1
    Citation - Scopus: 1
    Determination of Chemisorption Probabilities of Hydrogen Molecules on a Nickel Surface by Artificial Neural Network
    (Croatian Chemical Soc, 2008) Güvenç, Ziya Burhanettin; Boeyuekata, Mustafa; Kocyigit, Yuecel; Guevenc, Ziya B.; Böyükata, Mustafa; Bilgisayar Mühendisliği
    Dissociative chemisorption probabilities for H-2(v, j) + Ni(100) collision systems have been estimated by using Artificial Neural Network (ANN). For training, previously determined probability values via molecular dynamics simulations have been used. Performance of the ANN, for predicting any quantities in the molecule-surface interaction, has been investigated. Effects of the surface sites and the rovibrational states of the molecule on the process are analyzed. The results are in good agreement with the related previous studies.
  • Article
    Hydrogen hosting of nanoscale boron cluster
    (Editura Academiei Romane, 2008) Böyükata, Mustafa; Özdoğan, C.; Güvenç, Ziya B.; Bäoyäukata, M.; ÄozdoGan, C.; Gäuvenc, Z.B.
    In this paper the Density Functional Results of hydrogen bonded boron micro clusters with B3LYP/6-311++G(d,p) level of computations will be presented. Energetics and structural stability with their possible stable geometries of various selected micro complexes of B(m)H(n) (for m and n <= 11 )boron hydrides have been analysed, and their binding energies with HOMO-LUMO energy gaps have been determined. Mainly, erects of the number of hydrogen atoms on the structures of the boranes are assessed. Moreover, for the cage configurations their distortions have been investigated for the neutral, anionic and cationic cases. It has been observed that there have been two opposing factors for the cage configurations. One of which is the "peeling" of the cage structures by the hydrogen atoms, and the other one is reforming a smaller cage form simultaneously with there remaining boron atoms inside. This is observed mostly for the odd values of m. From our studies it has been also observed that with the bare boronclusters alone, it is difficult to increase the capacity of the hydrogen storage. Therefore, further studies are necessary with the boron complexes