Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

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

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Access type: Open accessAuthor: search.filters.author.Kahraman, Zeynep

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Now showing 1 - 4 of 4
  • Article
    Citation - WoS: 1
    Citation - Scopus: 1
    Phase-Dependent Optical, Photocatalytic and Capacitive Properties of Tungsten Oxide Nanowires
    (Royal Soc Chemistry, 2025) Kahraman, Zeynep; Gungor, Ahmet; Buldu-Akturk, Merve; Tan, Metin; Alp, Emre; Erdem, Emre; Genc, Aziz
    Transition metal oxides hold great promise across a wide range of applications due to favorable properties such as high abundance, low toxicity, and excellent stability. Nanoengineering approaches are essential for controlling the structural, optical, and electronic properties of these materials, enabling the achievement of desired characteristics in a cost-effective and environmentally friendly manner. In this study, we synthesize stoichiometric (WO3) and sub-stoichiometric (WO3-x) tungsten oxide nanowires by controlling their phases and morphologies through the hydrothermal method. This approach allows us to systematically investigate the effects of different phases and oxygen vacancies on the optical properties, as well as on photocatalytic and supercapacitance applications. We use the photodegradation of RhB as a benchmark for photocatalytic activity under various experimental conditions, revealing that oxygen vacancies significantly influence photocatalytic behavior. For example, WO3-x nanowires adsorb/degrade a substantial amount of RhB within short durations under ambient conditions, where WO3 nanowires are mostly inactive. The addition of H2O2 enhances the photocatalytic performance of WO3 nanowires over 30 minutes, with even better results under low pH conditions with H2O2. This study also explores the phase-dependent electrochemical properties of WO3 and WO3-x nanowires, providing insights into their potential for improved supercapacitor performance by leveraging their complementary properties in symmetric and asymmetric configurations. WO3-x, with a higher density of oxygen vacancies and thinner structure, offers enhanced conductivity and increased active sites for charge storage, resulting in superior specific capacitance and charge retention.
  • Article
    Citation - WoS: 7
    Citation - Scopus: 8
    Stable janus TaSe2 single-layers via surface functionalization
    (Elsevier Ltd., 2021) Kahraman, Zeynep; Başkurt, Mehmet; Yağmurcukardeş, Nesli; Chaves, A.; Şahin, Hasan
    First-principles calculations are performed in order to investigate the formation of Janus structures of single-layer TaSe2. The structural optimizations and phonon band dispersions reveal that the formation and stability of hydrogenated (HTaSe2), fluorinated (FTaSe2), and the one-side hydrogenated and one-side fluorinated (Janus-HTaSe2F) single-layers are feasible in terms of their phonon band dispersions. It is shown that bare metallic single-layer TaSe2 can be turned into a semiconductor as only one of its surface is functionalized while it remains as a metal via its two surfaces functionalization. In addition, the semiconducting nature of single-layers HTaSe2 and FTaSe2 and the metallic behavior of Janus TaSe2 are found to be robust under applied uniaxal strains. Further analysis on piezoelectric properties of the predicted single-layers reveal the enhanced in-plane and out-of-plane piezoelectricity via formed Janus-HTaSe2F. Our study indicates that single-layer TaSe2 is a suitable host material for surface functionalization via fluorination and hydrogenation which exhibit distinctive electronic and vibrational properties. © 2020 Elsevier B.V.
  • Article
    Citation - WoS: 93
    Citation - Scopus: 95
    Single-Layer Janus-Type Platinum Dichalcogenides and Their Heterostructures
    (American Chemical Society, 2019) Kahraman, Zeynep; Kandemir, Ali; Yağmurcukardeş, Mehmet; Şahin, Hasan
    Ultrathin two-dimensional Janus-type platinum dichalcogenide crystals formed by two different atoms at opposite surfaces are investigated by performing state-of-the-art density functional theory calculations. First, it is shown that single-layer PtX2 structures (where X = S, Se, or Te) crystallize into the dynamically stable IT phase and are indirect band gap semiconductors. It is also found that the substitutional chalcogen doping in all PtX2 structures is favorable via replacement of surface atoms with a smaller chalcogen atom, and such a process leads to the formation of Janus-type platinum dichalcogenides (XPtY, where X and Y stand for S, Se, or Te) which are novel single-layer crystals. While all Janus structures are indirect band gap semiconductors as their binary analogues, their Raman spectra show distinctive features that stem from the broken out-of-plane symmetry. In addition, it is revealed that the construction of Janus crystals enhances the piezoelectric constants of PtX2 crystals significantly both in the in plane and in the out-of-plane directions. Moreover, it is shown that vertically stacked van der Waals heterostructures of binary and ternary (Janus) platinum dichalcogenides offer a wide range of electronic features by forming bilayer heterojunctions of type-I, type-II, and type-III, respectively. Our findings reveal that Janus-type ultrathin platinum dichalcogenide crystals are quite promising materials for optoelectronic device applications.
  • Article
    Citation - WoS: 5
    Citation - Scopus: 5
    Functionalization of Single-Layer Tas2 and Formation of Ultrathin Janus Structures
    (Cambridge University Press, 2020) Kahraman, Zeynep; Yağmurcukardeş, Mehmet; Şahin, Hasan
    Ab initio calculations are performed to investigate the structural, vibrational, electronic, and piezoelectric properties of functionalized single layers of TaS2. We find that single-layer TaS2 is a suitable host material for functionalization via fluorination and hydrogenation. The one-side fluorinated (FTaS2) and hydrogenated (HTaS2) single layers display indirect gap semiconducting behavior in contrast to bare metallic TaS2. On the other hand, it is shown that as both surfaces of TaS2 are saturated anti-symmetrically, the formed Janus structure is a dynamically stable metallic single layer. In addition, it is revealed that out-of-plane piezoelectricity is created in all anti-symmetric structures. Furthermore, the Janus-type single-layer has the highest specific heat capacity to which longitudinal and transverse acoustical phonon modes have contribution at low temperatures. Our findings indicate that single-layer TaS2 is suitable for functionalization via H and F atoms that the formed, anti-symmetric structures display distinctive electronic, vibrational, and piezoelectric properties.