Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

Permanent URI for this collectionhttps://hdl.handle.net/11147/7148

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  • Article
    Citation - WoS: 21
    Citation - Scopus: 25
    Surface Functionalization of the Honeycomb Structure of Zinc Antimonide (znsb) Monolayer: a First-Principles Study
    (Elsevier, 2021) Bafekry, A.; Shahrokhi, M.; Yağmurcukardeş, Mehmet; Gogova, D.; Ghergherehchi, M.; Akgenç, B.; Feghhi, S. A. H.
    Structural, electronic, optic and vibrational properties of Zinc antimonide (ZnSb) monolayers and their func-tionalized (semi-fluorinated and fully chlorinated) structures are investigated by means of the first-principles calculations. The phonon dispersion curves reveal the presence of imaginary frequencies and thus confirm the dynamical instability of ZnSb monolayer. The calculated electronic band structure corroborates the metallic character with fully-relativistic calculations. Moreover, we analyze the surface functionalization effect on the structural, vibrational, and electronic properties of the pristine ZnSb monolayer. The semi-fluorinated and fully-chlorinated ZnSb monolayers are shown to be dynamically stable in contrast to the ZnSb monolayer. At the same time, semi-fluorination and fully-chlorination of ZnSb monolayer could effectively modulate the metallic elec-tronic properties of pristine ZnSb. In addition, a magnetic metal to a nonmagnetic semiconductor transition with a band gap of 1 eV is achieved via fluorination, whereas a transition to a semiconducting state with 1.4 eV band gap is found via chlorination of the ZnSb monolayer. According to the optical properties analysis, the first ab-sorption peaks of the fluorinated-and chlorinated-ZnSb monolayers along the in-plane polarization are placed in the infrared range of spectrum, while they are in the middle ultraviolet for the out-of-plane polarization. Interestingly, the optically anisotropic behavior of these novel monolayers along the in-plane polarizations is highly desirable for design of polarization-sensitive photodetectors. The results of the calculations clearly proved that the tunable electronic properties of the ZnSb monolayer can be realized by chemical functionalization for application in the next generation nanoelectronic devices.
  • Article
    Citation - WoS: 78
    Citation - Scopus: 83
    Synthesis, Characterization and Application of a Novel Sorbent, Glucamine-Modified Mcm-41, for the Removal/Preconcentration of Boron From Waters
    (Elsevier Ltd., 2005) Kaftan, Öznur; Açıkel, Müge; Eroğlu, Ahmet Emin; Shahwan, Talal; Artok, Levent; Ni, Chaoying
    A novel sorbent was prepared by the functionalization of an inorganic support material, MCM-41, with N-methylglucamine for the uptake of boron from aqueous solutions prior to its determination by inductively coupled plasma optical emission spectrometry (ICP–OES). Characterization of the newly synthesized material was performed using BET, XRD, TEM, SEM and DRIFTS techniques, in addition to its C and N elemental content. Sorption behavior of the novel sorbent for boron was also investigated and found to obey Freundlich and Dubinin–Radushkevich (D–R) isotherm models. The maximum amount of B (as H3BO3) that can be sorbed by the sorbent was calculated from the D–R isotherm and was found to be 0.8 mmol B g−1 of sorbent. The applicability of the new sorbent for the removal/preconcentration of boron from aqueous samples was examined by batch method. It was found that the sorbent can take up 85% of boron in 5 min whereas quantitative sorption is obtained in 30 min. Any pH greater than 6 can be used for sorption. Desorption from the sorbent was carried out using 1.0 M HNO3. The sorption efficiency of the new sorbent was also compared to that of Amberlite IRA 743, a commercial resin with N-methylglucamine functional groups. Within the experimental conditions employed, the new sorbent was found to have higher sorption efficiency than the commercial resin. For method validation, spike recovery tests were performed at various concentration levels in different water types and were found to be between 83–95 and 75–92% for ultra pure water and geothermal water, respectively.