Prof. IŞIK ÖNAL

Investigation of glucose electrooxidation mechanism over N-modified metal-doped graphene electrode by density functional theory approach

Duzenli D., ÖNAL I., Tezsevin I.

JOURNAL OF COMPUTATIONAL CHEMISTRY, vol.43, no.26, pp.1793-1801, 2022 (SCI-Expanded)

Glucose electrooxidation modelling studies on carbon nanotube supported Pd catalyst with response surface methodology and density functional theory

KAYA Ş., Ulaş B., Duzenli D., ÖNAL I., Er O. F. , Yilmaz Y., et al.

Journal of Physics and Chemistry of Solids, vol.168, 2022 (SCI-Expanded)

Thermal stability and SO2 resistance of Pd/Rh-perovskite based three-way catalyst wash-coated on cordierite monoliths

Bayram B., ÖNAL I., KÜLAH G.

CHEMICAL ENGINEERING COMMUNICATIONS, 2022 (SCI-Expanded)

Role of chromium in Cr–Fe oxide catalysts for high temperature water-gas shift reaction – A DFT study

Yalcin O., Wachs I. E. , ÖNAL I.

International Journal of Hydrogen Energy, vol.46, no.33, pp.17154-17162, 2021 (SCI-Expanded)

A novel experimental and density functional theory study on palladium and nitrogen doped few layer graphene surface towards glucose adsorption and electrooxidation

Caglar A., Duzenli D., ÖNAL I., Tezsevin I., Sahin O., Demir Kıvrak H.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, vol.150, 2021 (SCI-Expanded)

DFT Study on the Hydrogenation of CO2 to Methanol on Ho-Doped Cu(211) Surface

Tezsevin I., Senkan S., ÖNAL I., Duzenli D.

JOURNAL OF PHYSICAL CHEMISTRY C, vol.124, no.41, pp.22426-22434, 2020 (SCI-Expanded) Sustainable Development

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 O., Erwin J. E. M. , Gerceker D., ÖNAL I., Wachs I. E.

ACS CATALYSIS, vol.10, no.2, pp.1566-1574, 2020 (SCI-Expanded)

A comparative experimental and density functional study of glucose adsorption and electrooxidation on the Au-graphene and Pt-graphene electrodes

Caglar A., Duzenli D., ÖNAL I., Tersevin I., Sahin O., Demir Kıvrak H.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, vol.45, no.1, pp.490-500, 2020 (SCI-Expanded)

A density functional theory study of propylene epoxidation mechanism on Ag2O(001) surface

Tezsevin I., van Santen R. A. , ÖNAL I.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol.20, no.41, pp.26681-26687, 2018 (SCI-Expanded)

Density functional theory study of interactions between carbon dioxide and functionalized polyhedral oligomeric silsesquioxanes

Tezsevin I., Demirtas C., ÖNAL I., DİLEK HACIHABİBOĞLU Ç.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, vol.117, no.16, 2017 (SCI-Expanded)

A DFT study on the [VO](1+)-ZSM-5 cluster: direct methanol oxidation to formaldehyde by N2O

FELLAH M. F. , ÖNAL I.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol.15, no.33, pp.13969-13977, 2013 (SCI-Expanded)

Epoxidation of Propene by High-Throughput Screening Method Over Combinatorially Prepared Cu Catalysts Supported on High and Low Surface Area Silica

Duzenli D., ŞEKER E., Senkan S., ÖNAL I.

CATALYSIS LETTERS, vol.142, no.10, pp.1234-1243, 2012 (SCI-Expanded)

Effect of Surface and Oxygen Coverage on Ethylene Epoxidation

Ozbek M. O. , ÖNAL I., van Santen R. A.

TOPICS IN CATALYSIS, vol.55, pp.710-717, 2012 (SCI-Expanded)

Ni-55 nanocluster: a density functional theory study of the binding energy of nickel and ethylene adsorption

Yilmazer N. D. , Fellah M. F. , ÖNAL I.

TURKISH JOURNAL OF CHEMISTRY, vol.36, no.1, pp.55-67, 2012 (SCI-Expanded)

Epoxidation of Propylene on a [Ag14O9] Cluster Representing Ag2O (001) Surface: A Density Functional Theory Study

Fellah M. F. , ÖNAL I.

CATALYSIS LETTERS, vol.142, no.1, pp.22-31, 2012 (SCI-Expanded)

Why silver is the unique catalyst for ethylene epoxidation

Ozbek M. O. , ÖNAL I., van Santen R. A.

JOURNAL OF CATALYSIS, vol.284, no.2, pp.230-235, 2011 (SCI-Expanded)

Ethylene epoxidation catalyzed by chlorine-promoted silver oxide

Ozbek M. O. , ÖNAL I., Van Santen R. A.

JOURNAL OF PHYSICS-CONDENSED MATTER, vol.23, no.40, 2011 (SCI-Expanded)

C-H bond activation of methane on M- and MO-ZSM-5 (M = Ag, Au, Cu, Rh and Ru) clusters: A density functional theory study

Fellah M. F. , ÖNAL I.

CATALYSIS TODAY, vol.171, no.1, pp.52-59, 2011 (SCI-Expanded)

An ONIOM and DFT Study of Water and Ammonia Adsorption on Anatase TiO2 (001) Cluster

Erdogan R., ÖNAL I.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, vol.111, no.9, pp.2149-2159, 2011 (SCI-Expanded)

Epoxidation of Ethylene by Silver Oxide (Ag2O) Cluster: A Density Functional Theory Study

Fellah M. F. , van Santen R. A. , ÖNAL I.

CATALYSIS LETTERS, vol.141, no.6, pp.762-771, 2011 (SCI-Expanded)

A DFT Study of Direct Oxidation of Benzene to Phenol by N2O over [Fe(mu-O)Fe](2+) Complexes in ZSM-5 Zeolite

Fellah M. F. , Pidko E. A. , van Santen R. A. , ÖNAL I.

JOURNAL OF PHYSICAL CHEMISTRY C, vol.115, no.19, pp.9668-9680, 2011 (SCI-Expanded)

A density functional theory study of C-H bond activation of methane on a bridge site of M-O-M-ZSM-5 Clusters (M = Au, Ag, Fe and Cu)

Kurnaz E., Fellah M. F. , ÖNAL I.

MICROPOROUS AND MESOPOROUS MATERIALS, vol.138, pp.68-74, 2011 (SCI-Expanded)

Investigation of ruthenium-copper bimetallic catalysts for direct epoxidation of propylene: A DFT study

Kizilkaya A. C. , Senkan S., ÖNAL I.

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, vol.330, pp.107-111, 2010 (SCI-Expanded)

A Density Functional Theory Study of Direct Oxidation of Benzene to Phenol by N2O on a [FeO](1+)-ZSM-5 Cluster

Fellah M. F. , ÖNAL I., van Santen R. A.

JOURNAL OF PHYSICAL CHEMISTRY C, vol.114, no.29, pp.12580-12589, 2010 (SCI-Expanded)

A periodic DFT study of water and ammonia adsorption on anatase TiO2 (001) slab

Erdogan R., Ozbek O., ÖNAL I.

SURFACE SCIENCE, vol.604, pp.1029-1033, 2010 (SCI-Expanded)

A density functional theory study of ethylene adsorption on Ni-10(111), Ni-13(100) and Ni-10(110) surface cluster models and Ni-13 nanocluster

Yilmazer N. D. , Fellah M. F. , ÖNAL I.

APPLIED SURFACE SCIENCE, vol.256, no.16, pp.5088-5093, 2010 (SCI-Expanded)

A Density Functional Study of 1, 1, 5-Tris(4-dimethylaminophenyl)-3-methyl-divinylene

Fellah M. F. , ÖNAL I.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, vol.110, no.5, pp.1041-1047, 2010 (SCI-Expanded)

Direct gas-phase epoxidation of propylene to propylene oxide through radical reactions: A theoretical study

Kizilkaya A. C. , Fellah M. F. , ÖNAL I.

CHEMICAL PHYSICS LETTERS, vol.487, pp.183-189, 2010 (SCI-Expanded)

Direct Methane Oxidation to Methanol by N2O on Fe- and Co-ZSM-5 Clusters with and without Water: A Density Functional Theory Study

Fellah M. F. , ÖNAL I.

JOURNAL OF PHYSICAL CHEMISTRY C, vol.114, no.7, pp.3042-3051, 2010 (SCI-Expanded)

Propylene Epoxidation: High-Throughput Screening of Supported Metal Catalysts Combinatorially Prepared by Rapid Sol-Gel Method

ÖNAL I., Duzenli D., Seubsai A., Kahn M., ŞEKER E., Senkan S.

TOPICS IN CATALYSIS, vol.53, pp.92-99, 2010 (SCI-Expanded)

New Catalytic Materials for the Direct Epoxidation of Propylene by Oxygen: Application of High-Throughput Pulsed Laser Ablation

Kahn M., Seubsai A., ÖNAL I., Senkan S.

TOPICS IN CATALYSIS, vol.53, pp.86-91, 2010 (SCI-Expanded)

High Throughput Synthesis and Screening of New Catalytic Materials for the Direct Epoxidation of Propylene

Kahn M., Seubsai A., ÖNAL I., Senkan S.

COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, vol.13, no.1, pp.67-74, 2010 (SCI-Expanded)

Oxidation of Benzene to Phenol by N2O on an Fe2+-ZSM-5 Cluster: A Density Functional Theory Study

Fellah M. F. , van Santen R. A. , ÖNAL I.

JOURNAL OF PHYSICAL CHEMISTRY C, vol.113, no.34, pp.15307-15313, 2009 (SCI-Expanded)

A density functional theory study of oxidation of benzene to phenol by N2O on Fe- and Co-ZSM-5 clusters

Fellah M. F. , ÖNAL I.

TURKISH JOURNAL OF CHEMISTRY, vol.33, no.3, pp.333-345, 2009 (SCI-Expanded)

A Density Functional Study of Ni-2 and Ni-13 Nanoclusters

ÖNAL I., Sayar A., Uzun A., ÖZKAR S.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, vol.6, no.4, pp.867-872, 2009 (SCI-Expanded)

N2O decomposition on Fe- and Co-ZSM-5: A density functional study

Fellah M. F. , ÖNAL I.

CATALYSIS TODAY, vol.137, pp.410-417, 2008 (SCI-Expanded)

Synthesis of ZSM-5 from modified clinoptilolite and its catalytic activity in alkylation of benzene to ethylbenzene

KARTAL Ö. E. , ÖNAL I.

CHEMICAL ENGINEERING COMMUNICATIONS, vol.195, no.8, pp.1043-1057, 2008 (SCI-Expanded)

Activation of light alkanes on pure and Fe and Al doped silica clusters: A density functional and ONIOM study

Fellah M. F. , ÖNAL I.

TURKISH JOURNAL OF CHEMISTRY, vol.31, no.5, pp.415-426, 2007 (SCI-Expanded)

A quantum chemical study of nitric oxide reduction by ammonia (SCR reaction) on V2O5 catalyst surface

Soyer S., Uzun A., Senkan S., Onal I.

CATALYSIS TODAY, vol.118, pp.268-278, 2006 (SCI-Expanded)

Adsorption of water and ammonia on TiO2-anatase cluster models

Onal I., Soyer S., Senkan S.

SURFACE SCIENCE, vol.600, no.12, pp.2457-2469, 2006 (SCI-Expanded)

Selective oxidation of propylene to propylene oxide using combinatorial methodologies

Miyazaki T., Ozturk S., Onal I., Senkan S.

CATALYSIS TODAY, vol.81, no.3, pp.473-484, 2003 (SCI-Expanded)

Partial oxidation of methane on the SiO2 surface - A quantum chemical study

Ozturk S., Onal I., Senkan S.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, vol.39, no.2, pp.250-258, 2000 (SCI-Expanded)

Quantum chemical study of the catalytic oxidative coupling of methane

Onal I., Senkan S.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, vol.36, no.10, pp.4028-4032, 1997 (SCI-Expanded)

Formation of trace byproducts in the premixed flames of CH3Cl/C2H4

Huang J., Onal I., Senkan S.

ENVIRONMENTAL SCIENCE & TECHNOLOGY, vol.31, no.5, pp.1372-1381, 1997 (SCI-Expanded)

Oxidative coupling of methane over NbO (p-type) and Nb2O5 (n-type) semiconductor materials

Erarslanoglu Y., Onal I., Dogu T., Senkan S.

CATALYSIS LETTERS, vol.38, pp.215-218, 1996 (SCI-Expanded)

THE SIMULATION OF ATMOSPHERIC FLUIDIZED-BED COMBUSTORS WITH IN-SITU DESULFURIZATION

SELCUK N., OYMAK O., ONAL I.

JOURNAL OF THE INSTITUTE OF ENERGY, vol.66, no.469, pp.159-168, 1993 (SCI-Expanded) Sustainable Development

PORE-SIZE DISTRIBUTIONS IN URANIUM-DIOXIDE AND URANIUM DIOXIDE-GADOLINIUM OXIDE FUEL KERNEL PRODUCED BY SOL-GEL TECHNIQUE

GUNDUZ G., ONAL I., DURMAZUCAR H.

JOURNAL OF NUCLEAR MATERIALS, vol.178, pp.212-216, 1991 (SCI-Expanded)

SIMULATION AND OPTIMIZATION OF 3 EXISTING ETHYLBENZENE DEHYDROGENATION REACTORS IN SERIES

ONAL I., YALCIN N., UYGUN E., OZTURK H.

MATHEMATICAL AND COMPUTER MODELLING, vol.14, pp.263-267, 1990 (SCI-Expanded)

Publications & Works

Published journal articles indexed by SCI, SSCI, and AHCI