Browsing by Author "Fellah, Mehmet Ferdi"
Now showing items 21-40 of 43
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A DFT Study of Si Doped Graphene: Adsorption of Formaldehyde and Acetaldehyde
Akyavaşoğlu, Özge; Fellah, Mehmet Ferdi (DergiPark, 2020)In this study, Si doped graphene sensor property for indoor volatile contaminants formaldehyde and acetaldehyde has been examined. The B3LYP hybrid method with 6-31G(d,p) basis set has been used for this purpose. The ... -
A DFT study on Pt doped (4,0) SWCNT: CO adsorption and sensing
Demir, Selin; Fellah, Mehmet Ferdi (Elsevier, 2020)In this study, Density Functional Theory calculations have been utilized for the platinum doped (4,0) single walled carbon nanotube (SWCNT) in order to investigate the use of the CO gas sensor at room temperature. Hybrid ... -
A DFT study on the [VO](1+)-ZSM-5 cluster: direct methanol oxidation to formaldehyde by N2O
Fellah, Mehmet Ferdi; Onal, Isik (Royal Soc Chemistry, 2013)The mechanism of direct oxidation of methanol to formaldehyde by N2O has been theoretically investigated by means of density functional theory over an extra framework species in ZSM-5 zeolite represented by a [(SiH3)(4)AlO4](1) ... -
Direct decarbonylation of furfural to furan: A density functional theory study on Pt-graphene
Fellah, Mehmet Ferdi (Elsevier Science Bv, 2017)The catalytic mechanism of direct decarbonylation of furfural to furan on Pt graphene surface has been investigated by means of density functional theory (DFT) calculations. The main catalytic mechanism proposed in this ... -
Element yüklenmiş grafen yapılarının özelliklerinin yoğunluk fonksiyoneli teorisi (DFT) ile incelenmesi
Serinçay, Nazmiye (Bursa Teknik Üniversitesi, 2021)Son derece yüksek kristal ve elektronik kaliteye sahip olan grafen, yalnızca bir atom kalınlığında olan malzemelerin yeni bir sınıfını temsil etmektedir. Grafen, iki boyutlu bal peteği örgü içerisine sıkıca paketlenmiş ... -
Ga and Ge-doped graphene structures: A DFT study of sensor applications for methanol
Geçim, Gözde; Özekmekçi, Mehtap; Fellah, Mehmet Ferdi (Elsevier, 2020)Density functional theory calculations have been carried out to investigate the adsorption of methanol on the surface of Ga and Ge-doped graphene clusters and in order to explore the potential of doped graphene as a gas ... -
Highly monodispersed palladium-ruthenium alloy nanoparticles assembled on poly(N-vinyl-pyrrolidone) for dehydrocoupling of dimethylamine-borane: An experimental and density functional theory study
Sen, Betul; Aygun, Aysenur; Fellah, Mehmet Ferdi; Calimli, Mehmet Harbi; Sen, Fatih (Academic Press Inc Elsevier Science, 2019)This study reports on one of the best heterogeneous catalysts for the dehydrogenation of dimethylamineborane (DMAB). This new catalytic system consists of highly monodisperse Pd and Ru alloy nanoparticles supported by ... -
Host-guest complex properties of calix[4]arene derivatives: a DFT study of adsorption and sensing of an anticancer drug, 5-fluorouracil
Yüksel, Numan; Fellah, Mehmet Ferdi (Springer Wien, 2021)In this study, it has been reported the host-guest complex properties of calix[4]arene compounds (the 3rd generation supramolecule) against the 5-fluorouracil (5-FU) anticancer drug by density functional theory calculations ... -
Hydrogen adsorption on M-ZSM-12 zeolite clusters (M = K, Na and Li): a density functional theory study
Fellah, Mehmet Ferdi (Springer, 2014)The molecular adsorption of hydrogen has been studied theoretically via DFT on additional framework with alkali metal atoms (K, Na and Li) in ZSM-12 zeolite. A 14T channel zeolite cluster model was used. Lewis acidity of ... -
Hydrogen adsorption on Ni doped carbon nanocone
Köse, Ahmet; Yüksel, Numan; Fellah, Mehmet Ferdi (ELSEVIER SCIENCE SA, 2022)Hydrogen adsorption was investigated on Ni doped carbon nanocone (Ni-CNC) 180 degrees C by Density Functional Theory (DFT). The WB97XD method was used with the 6-31G(d,p) and LanL2DZ basis sets. The electronegativity, HOMO ... -
Metal yüklenmiş karbon nanotüplerin NO sensörü olarak kullanılabilirliğinin yoğunluk fonksiyoneli teorisi ile incelenmesi
Demir, Selin (Bursa Teknik Üniversitesi, 2019)Azot oksit (NO) ve azot dioksit (NO2) birlikte azot oksitler (NOX) olarak adlandırılır. NOx'in büyük oranı azot oksit (NO) halinde olup, daha sonra atmosfer sıcaklığında NO2 kolayca oksitlenebilir. NO renksiz, kokusuz bir ... -
Methyl-mercaptane adsorption and sensing on Fe-/Co-graphene structures: A DFT study
Yüksel, Numan; Köse, Ahmet; Fellah, Mehmet Ferdi (DergiPark, 2021)In this research, the adsorption and detection abilities of Fe and Co doped graphene structures for methyl-mercaptan molecule were investigated by Density Functional Theory (DFT) method. B3LYP hybrid functional and ... -
Pd, Ag and Rh doped (8,0) single-walled carbon nanotubes (SWCNTs): A DFT study on furan adsorption and detection
Yüksel, Numan; Köse, Ahmet; Fellah, Mehmet Ferdi (Elsevier, 2021)In this study, the use of single-walled carbon nanotubes (SWCNTs) with doping Pd, Ag and Rh as both a sensor and an adsorbent for furan molecule was investigated by Density Functional Theory (DFT) method. The WB97XD method ... -
Petrol distilasyonu simülasyonu: Proses parametrelerindeki değişimin ürün kompozisyonuna etkisinin incelenmesi
Pekcoşkun, Yasemin (Bursa Teknik Üniversitesi, 2020)Günümüzde gelişen sanayi ve endüstri şartları ile enerji ihtiyacı gün geçtikçe artmaktadır. Bu sebeple endüstrinin her alanında açığa çıkan enerji gereksinimini karşılamak için ihtiyaç duyulan ürünlerin temelini oluşturan ... -
Pt doped (8,0) single wall carbon nanotube as hydrogen sensor: A density functional theory study
Fellah, Mehmet Ferdi (Pergamon-Elsevier Science Ltd, 2019)In this study, it has been investigated the use of Pt doped carbon nanotube for the hydrogen gas sensor at room temperature and compared with available experimental literature data. The WB97XD method with 6-31G(d,p) and ... -
The reduced graphene oxide/WO3: Sensing properties for NO2 gas detection at room temperature
Fellah, Mehmet Ferdi (Elsevier Ltd, 2021)The use of reduced graphene oxide/(WO3)3 as a sensor for NO2 gas was investigated by Density Functional Theory method and the results were compared with the experimental data. The charge transfer has happened between the ... -
Retraction: Bimetallic platinum-rhodium nanocomposites for dimethylamine borane dehydrogenation: An experimental and density functional theory study (Catal. Sci. Technol. (2020) 10 (4624-4634) DOI: 10.1039/D0CY00641F)
Acidereli, Hilal; Fellah, Mehmet Ferdi (Royal Society of Chemistry, 2021)Hilal Acidereli and Mehmet Ferdi Fellah hereby wholly retract this Catalysis Science & Technology article due to concerns with the reliability of the data in the published article. The high-resolution transmission electron ... -
Selülozik kabuk yapılı ayçiçeğinin kurutulması
Konukluk, Dila Seray (2022)Ayçiçeklerinin çekirdekleri, tepsili kurutucu yardımıyla 3 farklı sıcaklık ve 3 farklı akış hızı kullanılarak, ön işlem (dondurulma) uygulanmış ve ön işlem uygulanmamış şekilde kurutma işlemi yapılmıştır. 3 farklı sıcaklık ... -
Studies of Novel Sulfapyridine Derivatives Containing Schiff Bases and Co(II), Ni(II) and Zn(II) Complexes: Synthesis, Experimental and Theoretical (DFT) Approach for Characterization and Biological Efficacy
Sahal, Hakan; Gur, Seher; Kaya, Mehmet; Turkoglu, Semra; Fellah, Mehmet Ferdi (Chem Soc Pakistan, 2017)Two new ligands were synthesized from sulfapyridine with 5-bromosalicylaldehyde (for (LH)-H-1) and 5-nitrosalicylaldehyde (for (LH)-H-2). Mononuclear complexes with metal ligand ratio 1:1 were prepared with Co(II), Ni(II) ... -
The supramolecularly complexes of calix[4]arene derivatives toward favipiravir antiviral drug (used to treatment of COVID-19): a DFT study on the geometry optimization, electronic structure and infrared spectroscopy of adsorption and sensing
Yüksel, Numan; Köse, Ahmet; Fellah, Mehmet Ferdi (Springer Science and Business Media B.V., 2021)While the world is in search of a vaccine that can cure COVID-19 disease, favipiravir is the most commonly used antiviral drug in the treatment of patients during the pandemic process. In this study, we investigated the ...
