Işık Önal

E-mail

ional@metu.edu.tr

Department

Department of Chemical Engineering

ORCID

0000-0003-4046-6676

Scopus Author ID

6602188204

Web of Science Researcher ID

AAG-6246-2019

Investigation of glucose electrooxidation mechanism over N-modified metal-doped graphene electrode by density functional theory approach Duzenli, Derya; Önal, Işık; Tezsevin, Ilker (2022-10-01) In this work, various precious and non-precious metals reported in the literature as the most effective catalysts for glucose electrooxidation reaction were investigated by the density functional theory (DFT) approach in o...
Glucose electrooxidation modelling studies on carbon nanotube supported Pd catalyst with response surface methodology and density functional theory KAYA, ŞEFİKA; Ulaş, Berdan; Duzenli, Derya; Önal, Işık; Er, Omer Faruk; Yilmaz, Yonca; Tezsevin, Ilker; DEMİR KIVRAK, HİLAL (2022-09-01) © 2022 Elsevier LtdIn this study, carbon nanotube supported Pd catalysts (Pd/CNT) are synthesized at different weight percentages by the sodium borohydride (NaBH4) reduction method to investigate catalytic performance of g...
Thermal stability and SO2 resistance of Pd/Rh-perovskite based three-way catalyst wash-coated on cordierite monoliths Bayram, Bilal; Önal, Işık; Külah, Görkem (2022-01-01) The effect of hydrothermal aging and SO2 poisoning on the three-way catalytic performance of dispersed Pd/Rh-based and Pd/Rh perovskite-based catalysts were studied by using a dynamic activity test system that simulates re...
Role of chromium in Cr–Fe oxide catalysts for high temperature water-gas shift reaction – A DFT study Yalcin, Ozgen; Wachs, Israel E.; Önal, Işık (2021-05-13) Carcinogenic hexavalent Cr in the current iron oxide-based catalysts of high temperature water-gas shift (HT-WGS) reaction is great environmental concern. Interpreting the role of the Cr in this important industrial cataly...
A novel experimental and density functional theory study on palladium and nitrogen doped few layer graphene surface towards glucose adsorption and electrooxidation Caglar, Aykut; Duzenli, Derya; Önal, Işık; Tezsevin, Ilker; Sahin, Ozlem; Demir Kıvrak, Hilal (Elsevier BV, 2021-03-01) At present, few layer graphene (G) and nitrogen doped few layer graphene (N doped-G) are firstly coated on Cu foil via chemical vapor deposition (CVD) method and G and N doped-G coated Cu foil is transferred to the indium ...
DFT Study on the Hydrogenation of CO2 to Methanol on Ho-Doped Cu(211) Surface Tezsevin, Ilker; Senkan, Selim; Önal, Işık; Duzenli, Derya (2020-10-01) The catalytic conversion of carbon dioxide (CO2) into methanol, a valuable chemical product, has been investigated theoretically on a novel holmium (Ho)-doped Cu(211) surface by density functional theory (DFT) calculations...
Role of Local Structure on Catalytic Reactivity: Comparison of Methanol Oxidation by Aqueous Bioinorganic Enzyme Mimic (Vanadium Haloperoxidase) and Vanadia-Based Heterogeneous Catalyst (Supported VO4/SiO2) Yalcin, Ozgen; Erwin, Julie E. Molinari; Gerceker, Duygu; Önal, Işık; Wachs, Israel E. (2020-01-17) Although enzymes perform redox reactions at milder reaction conditions than heterogeneous solid catalysts, the origin of this reactivity difference still needs to be resolved. In the present study, the mechanisms and kinet...
A comparative experimental and density functional study of glucose adsorption and electrooxidation on the Au-graphene and Pt-graphene electrodes Caglar, Aykut; Duzenli, Derya; Önal, Işık; Tersevin, Ilker; Sahin, Ozlem; Demir Kıvrak, Hilal (2020-01-01) At present, the graphene is covered on Cu foil with the 5 sccm hexane (C6H14) flow rate, 50 sccm hydrogen (H-2) flow rate, and 20 min deposition time parameters by the CVD method. The graphene on the Cu foil is then covere...
DFT+U Study on the Adsorption of NO on Pd and Rh Substituted CeO2 (110) Surfaces Kaya, Yasemin; Önal, Işık (2019-02-25)
A density functional theory study of propylene epoxidation mechanism on Ag2O(001) surface Tezsevin, I.; van Santen, R. A.; Önal, Işık (2018-11-07) Propylene oxide (PO) is one of the 50 most produced chemicals according to the production volume. Environmental and economic drawbacks of conventional PO production processes necessitate new production methods. Among the n...

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