Search Results - "Akça, Aykan"

Conversion of methane to methanol on C-doped boron nitride: A DFT study by Akça, Aykan

“…[Display omitted] •Conversion of Methane to Methanol on C-Doped Boron Nitride are investigated using the DFT method.•Adsorption and decomposition mechanism…”
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Electrocatalytic Decomposition of Formic Acid Catalyzed by M-Embedded Graphene (M = Ni and Cu): A DFT Study by Akça, Aykan, Karaman, Onur

“…In this study, the HCOOH decomposition reaction on nickel (Ni)- and copper (Cu)-embedded graphene surfaces was computationally modeled using density functional…”
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CH4 dissociation on the Pd/Cu(111) surface alloy: A DFT study by Akça, Aykan

“…The periodic four-layered model of the pure Cu(111) surface has been considered, and the effect of doping with palladium on CH dissociation has been…”
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A comparative study of CO catalytic oxidation on the single vacancy and di-vacancy graphene supported single-atom iridium catalysts: A DFT analysis by AKÇA, Aykan, KARAMAN, Onur, KARAMAN, Ceren, ATAR, Necip, YOLA, Mehmet Lütfi

“…Engineering of high-performance catalysts is of great importance for reducing the greenhouse gas emission by the electrocatalytic oxidation of CO…”
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Mechanism of methanol decomposition on the Cu-Embedded graphene: A DFT study by Akça, Aykan, Karaman, Onur, Karimi-Maleh, Hassan, Karimi, Fatemeh, Karaman, Ceren, Atar, Necip, Yola, Mehmet Lütfi, Erk, Nevin

“…The methanol decomposition reaction has gained substantial attention due to the wide range of applications that its intermediates offer. In this work, methanol…”
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Catalytic Effect of Ni and Cu Embedded Graphene Surface on SO2 Decomposition Reaction by AKÇA, Aykan

“…SO2 decomposition reaction on Ni and Cu embedded graphene surfaces were investigated using density functional theory. Grime D2 correction was used for Van der…”
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Activation of NO2 by Modifying the Porphyrin Unit with Oxygen in a MnN4 Graphene Layer by Emre Genç, Ali, Küçük, Hilal, Akça, Aykan

“…In this article, the activation of N−O bonds in NO2 molecules has been investigated by Density Functional Theory (DFT) calculations. Considering the…”
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Ammonia free catalytic reduction of nitric oxide on Ni-embedded graphene nanostructure: A density functional theory investigation by Genç, Ali Emre, Akça, Aykan, Karaman, Ceren, Camarada, Maria B., Dragoi, Elena-Niculina

“…•The reduction without NH3 on a Ni@GN catalyst was examined by DFT calculations.•A strong chemical interaction between ni and its nearest carbon atom was…”
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Activation of NO 2 by Modifying the Porphyrin Unit with Oxygen in a MnN 4 Graphene Layer by Emre Genç, Ali, Küçük, Hilal, Akça, Aykan

“…Abstract In this article, the activation of N−O bonds in NO 2 molecules has been investigated by Density Functional Theory (DFT) calculations. Considering the…”
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Catalytic effect of Ni and Cu embedded graphene surface on sulfur dioxide (SO2) decomposition reaction by Akça,Aykan

“…Sulfur dioxide (SO2) decomposition reaction on Ni and Cu embedded graphene surfaces were investigated using density functional theory. Grimme-D2 correction was…”
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