Sürücü, Özge

Profile Picture
Name Variants
Bayrakll Ö.
O., Surucu
Bayrakli O.
Bayrakli, Ozge
O.,Surucu
Surucu, Ozge
Ö.,Sürücü
Ozge, Surucu
Sürücü, Özge
Ö., Sürücü
Bayraklı Sürücü Ö.
Özge, Sürücü
Sürücü,Ö.
Surucu, O. Bayrakli
Bayrakli Sürücü O.
Bayraklı Ö.
Surucu,O.
Bayrakli Surucu O.
Bayrakli Ö.
Sürücü Ö.
S.,Ozge
Bayrakli, O.
S., Özge
S., Ozge
S.,Özge
Bayrakli Surucu, Ozge
Surucu O.
Surucu, O.
Bayrakli Sürücü Ö.
Job Title
Doçent Doktor
Email Address
ozge.surucu@atilim.edu.tr
Main Affiliation
Electrical-Electronics Engineering
Status
Website
ORCID ID
0000-0002-8478-1267
Scopus Author ID
Turkish CoHE Profile ID
Google Scholar ID
WoS Researcher ID

Sustainable Development Goals Report Points

SDG data could not be loaded because of an error. Please refresh the page or try again later.
Scholarly Output

38

Articles

36

Citation Count

368

Supervised Theses

0

Filters

2020 - 20245
Reset filters

Settings

Subject: Density functional theory

Scholarly Output Search Results

Now showing 1 - 5 of 5
  • Thumbnail Image
    Article
    Citation - WoS: 5
    Citation - Scopus: 4
    Pressure and Spin Effect on the Stability, Electronic and Mechanic Properties of Three Equiatomic Quaternary Heusler (fevhfz, Z = Al, Si, and Ge) Compounds
    (Elsevier, 2021) Surucu, G.; Gencer, A.; Surucu, O.; Usanmaz, D.; Candan, A.; Electrical-Electronics Engineering
    In this paper, three equiatomic quaternary Heusler compounds -FeVHfZ (Z = Al, Si, and Ge) - are investigated for their structural, magnetic, electronic, mechanic, and lattice dynamic properties under pressure effect. These compounds are optimized for under three structural types and three magnetic phases: beta is the most stable structure with ferromagnetic phase. The electronic properties reveal that FeVHfAl is a half-metal, and that FeVHfSi and FeVHfGe are spin gapless semiconductors. In addition to electronic band structure, possible hybridization and partial density of states are presented. Furthermore, the mechanical properties are studied, and the three-dimensional direction-dependent mechanical properties are visualized under varying pressure effects. Our results reveal the half-metal and spin gapless semiconductor nature of the ferromagnetic FeVHfZ com-pounds, making them promising materials for spintronics applications.
  • Thumbnail Image
    Article
    Citation - WoS: 44
    Citation - Scopus: 45
    Lattice Dynamical and Thermo-Elastic Properties of M2alb (m = V, Nb, Ta) Max Phase Borides
    (Elsevier Science Sa, 2020) Surucu, Gokhan; Gencer, Aysenur; Wang, Xiaotian; Surucu, Ozge; Electrical-Electronics Engineering
    The structural, electronic, dynamic, and thermo-elastic properties of M2AlB (X = V, Nb, Ta) MAX phase borides were investigated using first principle calculations as implemented in the Vienna Ab-initio Simulation Package (VASP) with the generalized gradient approximation (GGA). The obtained structural properties and formation energies showed the thermodynamic stability and synthesizability of M2AlB. The electronic band structures were determined and they revealed that these compounds had a metallic character. The dynamic stability of M2AlB compounds were investigated with phonon dispersion curves and these compounds were found to be dynamically stable. The elastic constants were also calculated to determine the mechanical stability and to obtain the polycrystalline properties such as bulk modulus, shear modulus, etc. The thermo-elastic properties (thermal expansion coefficient, heat capacity, entropy, and free energy) were studied in a temperature range in between 0 and 1000 K and a pressure range in between 0 and 30 GPa. In addition, the direction dependent sound wave velocities were studied in three dimensions. Moreover, the minimum thermal conductivities and the diffusion thermal conductivities of these compounds were determined. This work is the processor study for the investigation of the main physical properties of M2AlB (M = V, Nb, Ta) ceramic compounds to date. (C) 2019 Elsevier B.V. All rights reserved.
  • Thumbnail Image
    Article
    Citation - WoS: 5
    Citation - Scopus: 5
    Innovative 2d Materials for Efficient Photocatalysis: a Comparative Study for Wsi2n4, Wge2n4, and Their Janus Counterpart Wsigen4 Monolayers
    (Pergamon-elsevier Science Ltd, 2024) Himmet, F.; Surucu, G.; Lisesivdin, S. B.; Surucu, O.; Altuntas, G.; Bostan, B.; Gencer, A.; Electrical-Electronics Engineering
    In pursuit of environmentally friendly and effective photocatalytic materials for water splitting, this research paper presents a thorough evaluation of WSi2N4, WGe2N4, and their Janus counterpart WSiGeN4 monolayers through the application of Density Functional Theory. The study elucidates the optical, electronic, and structural characteristics of these monolayers, thereby demonstrating their potential as highly favorable contenders for applications involving photocatalytic water splitting. By means of comprehensive optimization and analysis, it is shown that these monolayers possess advantageous characteristics, such as favorable band gaps, stable work functions, and stability over a broad pH range. These attributes are of utmost importance in ensuring the effectiveness of hydrogen evolution reaction (HER). The inclusion of Janus WSiGeN4, which possesses an intrinsic mirror asymmetry, significantly improves the photocatalytic efficacy of the material. This is achieved by meeting the demands of optimal redox reaction levels in both the conduction and valence bands. In conjunction with machine learning force fields, ab initio molecular dynamics (AIMD) simulations validate the thermal stability of these monolayers at 300 K. In addition, our analysis of the optical properties reveals substantial absorption in the visible spectrum - vital for photocatalytic applications powered by solar energy. In summary, the research highlights the potential of Janus WSiGeN4, WGe2N4, and WSi2N4 monolayers as multifunctional and effective substances for forthcoming photocatalytic water -splitting systems. This advancement indicates of a significant stride in the direction of sustainable energy solution development.
  • Thumbnail Image
    Article
    Citation - WoS: 28
    Citation - Scopus: 30
    Equiatomic Quaternary Heusler Compounds Tivfez (z=al, Si, Ge): Half-Metallic Ferromagnetic Materials
    (Elsevier Science Sa, 2021) Gencer, A.; Surucu, O.; Usanmaz, D.; Khenata, R.; Candan, A.; Surucu, G.; Electrical-Electronics Engineering
    Equiatomic quaternary Heusler compounds (EQHCs) are very promising materials for spintronic applications due to their excellent electronic and magnetic properties. In this study, structural, electronic, magnetic, mechanic, and dynamic properties of TiVFeZ (Z=Al, Si, Ge) EQHCs are investigated. Three nonequivalent structural configurations of alpha, beta, and gamma type structures are considered. The gamma is defined as the most stable phase for all these compounds and has a half-metallic character. The predicted Curie temperatures of TiVFeAl, TiVFeSi, and TiVFeGe compounds are about 488 K, 256 K, and 306 K, respectively. We also show that TiVFeZ (Z=Al, Si, Ge) have thermodynamic, dynamic, and mechanical stabilities. The presented results reveal that these compounds are potential materials for spintronics applications. (C) 2021 Elsevier B.V. All rights reserved.
  • Thumbnail Image
    Article
    Citation - WoS: 26
    Citation - Scopus: 29
    Enhanced Hydrogen Storage of a Functional Material: Hf2cf2< Mxene With Li Decoration
    (Elsevier, 2021) Gencer, Aysenur; Aydin, Sezgin; Surucu, Ozge; Wang, Xiaotian; Deligoz, Engin; Surucu, Gokhan; Electrical-Electronics Engineering
    In this paper, the hydrogen storage properties of the Li-decorated stable Hf2CF2 MXene layer, obtained by the exfoliation of Al from Hf2AlC and F-termination, are considered by using first-principles calculations based on Density Functional Theory. First, the stability characteristics of the host structure (Hf2CF2 layer) are examined by investigating bulk Hf2AlC. To enhance the adsorbed number of H-2 molecules, the well-defined initial H-2 coordinates are constructed by CLICH (Cap-Like Initial Conditions for Hydrogens) and Monte Carlo-based algorithms. After the geometry optimizations of the designed H-2 systems on the Li/Hf2CF2 layer, the adsorption energies of nH(2)/Li/Hf2CF2 n = 1-10, 15, 20 and 25 systems are calculated, and the suitable values (0.2-0.6 eV/H-2) are obtained up to 15H(2). For n = 20 and 25 systems, which have adsorption energies of 0.15 eV/H-2 and 0.16 eV/H-2, respectively. The structural properties and adsorption geometries of these molecules are analyzed. Additionally, the partial density of the states, electron density difference maps, and Mulliken atomic charges are presented to identify the actual binding mechanism of the systems. The results reveal that the Li-decorated Hf2CF2 MXene layer can be preferred for the hydrogen storage applications due to its stable nature and the convenient adsorption characteristics.