Yazar "Şensoy, Mehmet Gökhan" için listeleme
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Ab initio atomistic thermodynamics modeling of adsorption of oxygen on gold and gold-silver surfaces
Şensoy, Mehmet Gökhan (2019)A theoretical study of oxygen adsorption on gold and gold-silver surfaces by means of density functional theory (DFT) calculations with an atomistic thermodynamic model is performed. The (111) and (211) facets of gold and ... -
Density functional theory investigation of oxidation intermediates on gold and gold-silver surfaces
Şensoy, Mehmet Gökhan; Montemore, Matthew M. (Amer Chemical Soc, 2020)Gold and gold-silver alloys can be active and selective oxidation catalysts. Previous work has suggested that O-2 dissociation occurs at bimetallic step sites on gold-silver alloys, but the site responsible for the rest ... -
First-principles investigation of CO and CO2 adsorption on gamma-Al2O3 supported monoatomic and diatomic Pt clusters
Şensoy, Mehmet Gökhan; Üstünel, Hande; Toffoli, Daniele (Elsevier, 2020)Supported clusters of transition metal atoms are key components of heterogeneous catalysts. Understanding their interaction with small molecular species is therefore an important step in catalyst design. in this work, we ... -
First-principles study of coupled effect of ripplocations and S-vacancies in MoS2
Tritsaris, Georgios A.; Şensoy, Mehmet Gökhan; Shirodkar, Sharmila N.; Kaxiras, Efthimios (Amer Inst Physics, 2019)Recent experiments have revealed ripplocations, atomic-scale ripplelike defects on samples of MoS2 flakes. We use quantum mechanical calculations based on density functional theory to study the effect of ripplocations on ... -
Formaldehyde selectivity in methanol partial oxidation on silver: effect of reactive oxygen species, surface reconstruction, and stability of intermediates
Karatok, Mustafa; Şensoy, Mehmet Gökhan; Vovk, Evgeny; Üstünel, Hande; Toffoli, Daniele; Özensoy, Emrah (Amer Chemical Soc., 2021)Selective oxidation reactions on heterogeneous silver catalysts are essential for the mass production of numerous industrial commodity chemicals. However, the nature of active oxygen species in such reactions is still ... -
The influence of vacancy-induced local strain on the transport properties in armchair and zigzag graphene nanoribbons
Şensoy, Mehmet Gökhan (Iop Publishing Ltd, 2019)We investigate the transport properties of defected graphene nanoribbons with single C vacancy using non-equilibrium Green's function formalism within the tight-binding model approach. the insights derived from the analysis ... -
Investigation of Magnetic Properties of Spin 5/2 Ising Chain by Using Transfer Matrix Method
Şensoy, Mehmet Gökhan; Batı, Mehmet (2018)A magnetic property of the one dimensional spin 5/2 Ising model under the magnetic field has been investigated by means of transfer matrix method. Thermodynamic response functions are also obtained for varying values of ... -
Magnetic properties of the spin-5/2 Blume-Capel chain in a magnetic field
Şensoy, Mehmet Gökhan; Batı, Mehmet (Elsevier, 2019)The magnetization plateaus and thermodynamic properties of the antiferromagnetic spin-5/2 chain system were studied by using Blume-Capel model. the system with crystal field interaction in the presence of an external ... -
Manipulating the electrical properties of conductive substoichiometric titanium oxides
Şensoy, Mehmet Gökhan; Carpick, Robert W.; Srolovitz, David J.; Rappe, Andrew M. (American Physical Society, 2024)Conducting metal oxides offer many advantages for novel electronics applications, including sensors, fuel cells, piezoelectric devices, and microelectronic circuits, due to their conductivity, hardness, and chemically inert ... -
Numerical analysis for remote identification of materials with magnetic characteristics
Ege, Yavuz; Şensoy, Mehmet Gökhan; Kalender, Osman; Nazlıbilek, Sedat (IEEE, 2011)There is a variety of methods used for remote sensing of objects such as acoustic, ground penetration radar detection, electromagnetic induction spectroscopy, infrared imaging, thermal neutron activation, core four-pole ... -
Unveiling the electrocatalytic hydrogen evolution reaction pathway on RuP2 through Ab initio grand canonical Monte Carlo
Qin, Shihan; Banerjee, Sayan; Şensoy, Mehmet Gökhan; Rappe, Andrew M. (Amer Chemical Soc., 2024)In this study, the high catalytic reactivity of ruthenium phosphide (RuP2) has been identified by first-principles density functional theory (DFT) calculations for the electrocatalytic hydrogen evolution reaction (HER). ...
