Scopus İndeksli Yayınlar Koleksiyonu
Permanent URI for this collectionhttps://hdl.handle.net/20.500.12573/395
Browse
6 results
Search Results
Research Project Bor Zengini Amorf Malzemeler(TUBİTAK, 2020) Durandurdu, MuratBu TÜBİTAK 1001 projesi kapsamında, bor zengini farklı amorf malzemeler [B1-xSix, B1-xCx, B1-_x000D_ xOx, ve B1-xLix (0, 5 ≥ � ≥ 0,05)] ab initio moleküler dinamik tekniği kullanılarak sıvı hallerin hızlıca_x000D_ soğutulması sonucu modellenmiş ve bu malzemelerin atomik yapıları, elektronik yapıları ve_x000D_ mekanik özellikleri ayrıntı olarak araştırılmıştır. Bunlara ek olarak, bu malzemelerin bazı_x000D_ oranlarının yüksek basınçtaki davranışları incelenmiştir. Bazı malzemelerde, örneğin BC ve BO_x000D_ malzemelerinde, bor oranının artmasıyla iki boyutlu yapıdan üç boyutlu yapıya geçiş_x000D_ gözlemlenmiştir. Ayrıca yüksek bor oranlarında, B12 icosahedralların oluştuğu bulunmuştur. B12_x000D_ molekülüne ek olarak nano boyutunda B7, B10, B14, B16 kafes moleküllerinin oluşumu bazı_x000D_ malzemelerde gözlemlenmiştir. Modellenen malzemelerin her birinin yarıiletken özelliği gösterdiği_x000D_ fakat yasak band aralığında bor oranına bağlı genel bir eğilim olmayıp dalgalanmaların olduğu_x000D_ bulunmuştur. B12 moleküllerinin oluşumunun malzemelerin mekanik özelliğini dikkate değer bir_x000D_ şekilde etkilediği ve bor oranı yüksek olan malzemelerin daha sert bir özellik gösterdiği_x000D_ bulunmuştur. Yüksek basınç uygulamasıyla, malzemelerin daha yoğun bir amorf yapıya faz_x000D_ geçişişi yaptığı ve malzemeye bağlı olarak, faz geçişlerinin tersinir ya da tersinir olmayan faz_x000D_ geçişleri olduğu gözlemlenmiştir.Article Citation - WoS: 6Citation - Scopus: 6Experimental Measurements of Some Thermophysical Properties of Solid CdSb Intermetallic in the Sn-Cd Ternary Alloy(Springer, 2016) Ozturk, Esra; Aksoz, Sezen; Altintas, Yemliha; Keslioglu, Kazum; Marasli, NecmettinThe equilibrated grain boundary groove shapes of solid CdSb in equilibrium with Sn-Cd-Sb eutectic liquid were observed from a quenched sample by using a radial heat flow apparatus. The Gibbs-Thomson coefficient, solid-liquid interfacial energy and grain boundary energy of the solid CdSb intermetallic were determined from the observed grain boundary groove shapes. The thermal conductivity of the eutectic solid and the thermal conductivity ratio of eutectic liquid to the eutectic solid in the Sn-35.8 at.%Cd-6.71 at.%Sb eutectic alloy at its eutectic melting temperature were also measured with a radial heat flow apparatus and a Bridgman-type growth apparatus, respectively.Article Citation - WoS: 261Citation - Scopus: 272Surface-Enhanced Raman Spectroscopy (SERS): An Adventure from Plasmonic Metals to Organic Semiconductors as SERS Platforms(Royal Soc Chemistry, 2018) Demirel, Gokhan; Usta, Hakan; Yilmaz, Mehmet; Celik, Merve; Alidagi, Husniye Ardic; Buyukserin, Fatih; Demirel, Gokhan; Usta, Hakan; Yilmaz, Mehmet; Celik, Merve; Alidagi, Husniye Ardic; Buyukserin, FatihThe quantitative determination and identification of bio-/chemical molecules at ultra-low concentrations is a hot topic in several fields including medical diagnostics, environmental science, and homeland security. Molecular detection techniques are conventionally based on optical, electrochemical, electronic, or gravimetric methodologies. Among these methods, surface-enhanced Raman spectroscopy (SERS) is considered as one of the most reliable, sensitive and selective techniques for non-destructive molecular analysis through the amplification of electromagnetic fields and/or creation of charge-transfer states between the chemisorbed analyte molecule and SERS active platform. Unfortunately, the applicability of SERS is rather limited, which is mainly due to the lack of highly sensitive SERS platforms with good stability and reproducibility. In line with this, metal nanoparticles (e.g., Au, Ag, and Cu) have been extensively exploited as SERS active platforms. Although the utilization of metallic nanoparticles in SERS is simple and cost-effective, the poor controllability of the structures and limited formation of hot spots in the detection zone leads to discrepancy in the resulting SERS signals. For these reasons, in the past few years, researchers have focused on fabricating 3-dimensional (3D) SERS platforms, which increase the adsorption of analyte molecules and facilitate hot spot formation in all three dimensions. However, the fabrication of 3D SERS platforms is mostly expensive and technologically demanding. Therefore, the discovery of non-metal alternative approaches is of great interest not only to widen SERS applications but to further elucidate fundamental questions. Considering recent developments on the fabrication and application of SERS active platforms, this review is structured in 3 main directions; (1) implementation of the plasmonic nanoparticles having different shapes into SERS-active platforms, (2) highlighting recent developments in the fabrication and application of 3D SERS-active platforms, and (3) examination of recent novel inorganic and organic semiconductor based platforms for SERS applications. At the end, we conclude with the promises and challenges for the future evolution of SERS.Article Citation - WoS: 24Citation - Scopus: 24Pressure-Induced Amorphization of MOF-5: A First Principles Study(Wiley-VCH Verlag GmbH, 2018) Erkartal, Mustafa; Durandurdu, Murat; Erkartal, Mustafa; Durandurdu, MuratAmorphous metal-organic frameworks (MOFs) and the amorphization of crystalline MOFs under mechanical stimuli are attracting considerable interest in last few years. However, we still have limited knowledge on their atomic arrangement and the physical origin of crystalline-to-amorphous phase transitions under mechanical stimuli. In this study, ab initio simulations within a generalized gradient approximation are carried out to investigate the high-pressure behavior of MOF-5. Similar to the previous experimental findings, a pressure-induced amorphization is observed at 2 GPa through the simulations. The phase transformation is an irreversible first order transition and accompanied by around 68% volume collapse. Remarkably, the transition arises from local distortions and, contrary to previous suggestions, does not involve any bond breaking and formation. Additionally, a drastic band gap closure is perceived for the amorphous state. This study has gone some way towards enhancing our understanding of pressure-induced amorphization in MOFs.Article Citation - WoS: 7Citation - Scopus: 8Synergistic Effect of Organic Acid on the Dissolution of Mixed Nickel-Cobalt Hydroxide Precipitate in Sulphuric Acid Solution(Edp Sciences S A, 2019) Kursunoglu, Sait; Kursunoglu, SaitThe synergistic effect of an organic acid on the dissolution of nickel and cobalt from a mixed nickel-cobalt hydroxide precipitate (MHP) in sulphuric acid solution was studied. The effects of sulphuric acid concentration, the type of organic acid, leaching time, leaching temperature and stirring speed on the dissolution of the metals were experimentally investigated. It was observed that there is no beneficial effect of leaching temperature and stirring speed on the dissolution of the metals from the used MHP product which contains 37.7% Ni, 2.1% Co and 5.6% Mn. It was found that citric acid was more effective than oxalic acid for the dissolution of nickel and manganese, whereas oxalic acid was more effective than citric acid for the dissolution of cobalt. The addition of oxalic acid into the leaching system, however, affected the dissolution of nickel negatively because nickel precipitate as nickel oxalate. Therefore, the use of citric acid as synergist for sulphuric acid leaching of MHP product is more promising. After 60 min of leaching, 90.9% Ni, 84.2% Co and 98.1% Mn were dissolved under the following conditions: 0.75 M sulphuric acid, 2 g citric acid, 1/10 solid-to-liquid ratio, 400 rpm stirring speed and 30 degrees C temperature. The experimental results demonstrate that the addition of citric acid as a synergist for sulphuric acid leaching of a MHP product provides beneficial effect for the dissolution of nickel, cobalt and manganese.Article Citation - WoS: 3Citation - Scopus: 3High Pressure Modifications in Amorphous Boron Suboxide: An Ab Initio Study(Elsevier Sci Ltd, 2020) Durandurdu, Murat; Durandurdu, MuratUsing constant pressure ab initio calculations, we probe the high-pressure modifications in amorphous boron suboxide (B6O) consisting of glassy boron trioxide (B2O3) and boron (B) domains up to a theoretical pressure of 100 GPa. At this pressure, the structure remains amorphous. We find a steady increase in the average coordination of both B and oxygen (O) atoms. O atoms mostly attain threefold coordination as in B2O3 glass at high pressures. On the other hand, the mean coordination number of B-atoms reaches six at high pressures and the structural changes in B-rich regions are perceived to be quite analogous to those of amorphous B. B-12 clusters are found to persevere during the pressurizing process and the high-pressure modifications occur predominantly around O-atoms and the regions that connect the pentagonal pyramid-like motifs to each other. Upon pressure release, some high-pressure configurations persist in the model and another noncrystalline structure being about 10% denser than the original state is recovered, suggesting a permanent densification and a possible irreversible amorphous-to-amorphous phase transformation in B6O. The recovered network shows slightly better mechanical properties than the uncompressed model. During the compression and decompression processes, amorphous B6O remains semiconducting. The delocalization of some band tail states is seen at high pressures.