Browsing by Author "Gülseren, Oğuz"

Now showing items 1-20 of 34

    • Ab-initio atomic scale study of nearly frictionless surfaces 

      Çıracı, Salim; Yıldırım, T.; Dağ, S.; Gülseren, Oğuz (Elsevier, 2007)
      This chapter presents a comparative analysis of the dry sliding friction between the atomically flat and commensurate surfaces of two different systems: between two diamond (001) surfaces and between two BN (001) surfaces. ...

    • Alkali metal intercalation in MXene/Graphene heterostructures: a new platform for ion battery applications 

      Demiroğlu, İ.; Peeters, F. M.; Gülseren, Oğuz; Çakır, D.; Sevik, C. (American Chemical Society, 2019)
      The adsorption and diffusion of Na, K, and Ca atoms on MXene/graphene heterostructures of MXene systems Sc2C(OH)2, Ti2CO2, and V2CO2 are systematically investigated by using first-principles methods. We found that alkali ...

    • Chemically uracil-functionalized carbon and silicon carbide nanotubes: computational studies 

      Harismah, K.; Mirzaei, M.; Sahebi, H.; Gülseren, Oğuz; Rad, A. S. (Elsevier, 2018)
      Chemical additions of uracil (U) nucleobase to sidewall of each of representative (4,4) armchair carbon and silicon carbide nanotubes (CNT and SiCNT) were investigated based on density functional theory (DFT) calculations. ...

    • A computational molecular approach on chitosan vehicle for metformin 

      Mirzaei, M.; Gülseren, Oğuz; Jafari, E.; Aramideh, M. (ICC, 2019)
      Density functional theory (DFT) calculations have been performed to study properties of chitosan (Chit) as a possible vehicle for carrying metformin (Met) drug. To this aim, the singular molecules of Met and Chit have been ...

    • Cubane cluster surface for pyrimidine nucleobases relaxation: DFT approach 

      Mirzaei, M.; Hadipour, N.; Gülseren, Oğuz (Danishgah-i Azad-i IslamiIslamic Azad University, 2020-12-27)
      Density functional theory (DFT) approach was employed to investigate relaxation processes of each of pyrimidine nucleobases (NBs); cytosine (C), thymine (T) and uracil (U), at the Cubane Cluster Surface (CCS). The main ...

    • Deterministic phase transitions and self-organization in logistic cellular automata 

      İbrahimi, Muhamet; Gülseren, Oğuz; Jahangirov, Seymur (American Physical Society, 2019)
      We present a simple extension in which a single parameter tunes the dynamics of cellular automata (CA) by consequently expanding their discrete state space into a Cantor set. Such an implementation serves as a potent ...

    • A distinct correlation between the vibrational and thermal transport properties of group VA monolayer crystals 

      Kocabaş, T.; Çakır, D.; Gülseren, Oğuz; Ay, F.; Kosku-Perkgöz, N.; Sevik, C. (Royal Society of Chemistry, 2018)
      The investigation of thermal transport properties of novel two-dimensional materials is crucially important in order to assess their potential to be used in future technological applications, such as thermoelectric power ...

    • Distributed contact flip chip InGaN/GaN blue LED; comparison with conventional LEDs 

      Genç, M.; Sheremet, Volodymyr; Elçi, M.; Kasapoğlu, A.; Altuntaş, İ.; Demir, İ.; Eğin, G.; İslamoğlu, Serkan; Gür, E.; Muzafferoğlu, N.; Elagöz, S.; Gülseren, Oğuz; Aydınlı, A. (Elsevier, 2019)
      This paper presents high performance, GaN/InGaN-based light emitting diodes (LEDs) in three different device configurations, namely Top Emitting (TE) LED, conventional Flip Chip (FC) and Distributed Contact (DC) FC. Series ...

    • DNA codon recognition by a cubane wire: In silico approach 

      Mirzaei, M.; Hadipour, N.; Gülseren, Oğuz (DergiPark, 2021)
      DNA codons, consisting of triplet nucleotides (NTs), could play important roles for RNA transcription and protein translation in living systems. Therefore, their recognition could be seen important for diagnosis and therapy ...

    • Double perovskite structure induced by Co addition to PbTiO3: Insights from DFT and experimental solid-state NMR spectroscopy 

      Mete, E.; Odabaşı, S.; Mao, H.; Chung, T.; Ellialtıoğlu, Ş.; Reimer, J. A.; Gülseren, Oğuz; Üner, D. (American Chemical Society, 2019)
      The effects of Co addition on the chemical and electronic structure of PbTiO3 were explored both by theory and through experiment. Cobalt was incorporated into PbTiO3 during the sol–gel process with the X-ray diffraction ...

    • Electronic structure of Ge-Si superlattices grown on Ge (001) 

      Gülseren, Oğuz; Çıracı, Salim (1991)
      The authors have studied the electronic energy structure of pseudomorphic Gem/Sin superlattices by using the empirical tight-binding method. Effects of the band offset, sublattice periodicity and the lateral lattice constant ...

    • Electronic structure of low dimensional semiconductor systems 

      Gülseren, Oğuz (Bilkent University, 1992)
      Recent progress made in the growth techniques has led to the fabrication of the artificial semiconductor systems of lower dimension. Electrons and holes in these materials have quantization different from those of the ...

    • Electronic structure of Si/Ge semiconductor superlattices 

      Gülseren, Oğuz (Bilkent University, 1988)
      A brief review about the two dimensional electron systems and especially band offsets is given. The electronic properties of the Si„/Ge„(001) strained superlattices as a function of the superlattice periodicity and the ...

    • Elucidating the barriers on direct water splitting: key role of oxygen vacancy density and coordination over PbTiO3 and TiO2 

      Ersen, M.; Ellialtıoğlu, Ş.; Gülseren, Oğuz; Uner, D. (American Chemical Society, 2021-01-28)
      In this work, using the state-of-the-art first-principles calculations based on density functional theory, we found that the concentration and coordination of surface oxygen vacancies with respect to each other were critical ...

    • First-principles investigation of armchair stanene nanoribbons 

      Fadaie, M.; Shahtahmassebi, N.; Roknabad, M. R.; Gülseren, Oğuz (Elsevier B.V., 2018)
      In this study, we systematically investigated the structural, electronic and optical properties of armchair stanene nanoribbons (ASNRs) by using the first-principles calculations. First, we performed full geometry optimization ...

    • Functionalization of (n,0) CNTs (n=3-16) by uracil: DFT studies 

      Mirzaei, M.; Harismah, K.; Jafari, E.; Gülseren, Oğuz; Rad, A. S. (Springer Heidelberg, 2018)
      Density functional theory (DFT) calculations were performed to investigate stabilities and properties for uracil (U)-functionalized carbon nanotubes (CNTs). To this aim, the optimized molecular properties were evaluated ...

    • Functionalized carbon nanotubes and device applications 

      Çıracı, Salim; Dağ, Sefa; Yıldırım, T.; Gülseren, Oğuz; Senger, Ramazan Tuğrul (IOP, 2004)
      Carbon nanotubes, in which the two-dimensional hexagonal lattice of graphene is transformed into a quasi-one-dimensional lattice by conserving the local bond arrangement, provide several structural parameters for engineering ...

    • In pursuit of barrierless transition metal dichalcogenides lateral heterojunctions 

      Aierken, Y.; Sevik, C.; Gülseren, Oğuz; Peeters, F. M.; Çakir, D. (Institute of Physics Publishing, 2018)
      There is an increasing need to understand interfaces between two-dimensional materials to realize an energy efficient boundary with low contact resistance and small heat dissipation. In this respect, we investigated the ...

    • In silico activity of AS1411 aptamer against nucleolin of cancer cells 

      Farahbakhsh, Z.; Zamani, M. R.; Rafienia, M.; Gülseren, Oğuz; Mirzaei, M. (Iranian Pediatric Hematology and Oncology Society, 2020)
      Background: It has been expected that AS1411 aptamer could work against the cancer cells. Although the general information is available, there is still lack of details for the purpose. Therefore, activity of AS1411 aptamer ...

    • Intimate relationship between structural deformation and properties of single-walled carbon nanotubes 

      Yıldırım, Taner; Gülseren, Oğuz; Çıracı, Salim (Cambridge, 2002)
      Carbon nanotubes continue to surprise scientists with their novel properties. Recently we have discovered many intimate relationships between structural deformation and the properties of single-walled nanotubes (SWNT), ...