Erden, Fuat
Karakaya, İshak
Mg-Ni system draws attention due to the promising hydrogen storage properties of Mg2Ni. The proposed method involves the use of NiO and MgCl2 in an electrochemical cell to from Mg-Ni intermetallics directly. The electrodeoxidation of NiO was followed by combination of Mg and Ni in molten salt electrolytes. The products were characterized by XRD analysis and SEM examinations. The quantitative results from Rigaku supported by Rietveld Refinement method conducted by Maud showed that more than 50 percent of the input Ni was converted to Mg-Ni intermetallics.


On the Preparation of Mg2Ni by Combining Electrodeoxidation and Electrolysis Techniques
ERDEN, Fuat; Karakaya, İshak; Erdogan, Metehan (2014-11-01)
Mg2Ni is a well-known hydrogen storage alloy. Most of the preparative methods for this alloy require high temperature processing of pure magnesium and nickel. The proposed method, studied in this work, involves the production of Mg2Ni alloy directly from NiO and MgCl2 in an electrochemical cell. This method can eliminate the difficulties that may arise, during handling due to the reactive nature of metallic components, especially Mg. XRD patterns of reduced samples indicated the partial formation of Mg2Ni. ...
A quantum chemical study of nitric oxide reduction by ammonia (SCR reaction) on V2O5 catalyst surface
Soyer, Sezen; Uzun, Alper; Senkan, Selim; Önal, Işık (2006-12-15)
The reaction mechanism for the selective catalytic reduction (SCR) of nitric oxide by ammonia on (010) V2O5 surface represented by a V2O9H8 cluster was simulated by means of density functional theory (DFT) calculations performed at B3LYP/6-31G** level. The computations indicated that SCR reaction consisted of three main parts. For the first part, ammonia activation on V2O5 was investigated. Ammonia was adsorbed on Bronsted acidic V-OH site as NH4+ species by a non-activated process with an exothermic relati...
Utilization of (La1-xSrx)CoO3-δ/(La1-ySry)2CoO4±δ heterostructures as cathode for it-SOFCs
Torunoğlu, Ziya Çağrı; Öztürk, Tayfur; Kalay, Yunus Eren; Department of Metallurgical and Materials Engineering (2017)
Perovskite type ABO3 oxides have been studied as one of the promising candidates for the cathode of intermediate temperature (500-700 ˚C) solid oxide fuel cells (SOFCs). The one of the best one among them is (La1-xSrx)CoO3-δ (LSC113) in terms of SOFC cathode performance. However, LSC drastically suffers from strong chemical instability problem manifested as surface Strontium segregation, triggered by increasing operation temperature. Lowering temperature, on the other hand, blocks oxygen reduction performan...
A density functional theory study of propylene epoxidation on RuO2(110) surface
Atmaca, Deniz Onay; Duzenli, Derya; Ozbek, M. Olus; Önal, Işık (2016-11-01)
Propylene epoxidation is investigated on RuO2(110) and oxygen added RuO2-O-ot(110) surfaces by periodic DFT computational method. The desired product propylene oxide (PO) as well as the undesired products acetone (AC) or propionaldehyde (PA) form on both surfaces through either surface intermediate oxometallopropylene (OMMP) or direct oxygen insertion mechanisms. On RuO2(110) surface, nucleophilic lattice oxygen at bridge position (O-br) favors the stable surface intermediate mechanism where high energy req...
Enhancement of H-2 Storage in Carbon Nanotubes via Doping with a Boron Nitride Ring
Onay, Aytun Koyuncular; Erkoç, Şakir (American Scientific Publishers, 2009-04-01)
Hydrogen storage capacity of carbon nanotubes with different chirality have been investigated by performing quantum chemical methods at semiempirical and DFT levels of calculations. It has been found that boron nitrite substitutional doping increases the hydrogen storage capacity of carbon nanotubes.
Citation Formats
F. Erden, İ. Karakaya, and M. ERDOĞAN, “AN INTERRUPTED IN-SITU METHOD FOR ELECTROCHEMICAL FORMATION OF Mg-Ni INTERMETALLICS,” 2014, Accessed: 00, 2020. [Online]. Available: