Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Citation - WoS: 32Citation - Scopus: 33Ballistic Thermoelectric Transport Properties of Two-Dimensional Group Iii-Vi Monolayers(American Physical Society, 2021) Çınar, Mustafa Neşet; Özbal Sargın, Gözde; Sevim, Koray; Özdamar, Burak; Kurt, Gizem; Sevinçli, HaldunBallistic transport and thermoelectric properties of group III-VI compounds (XY: X = B, Al, Ga, In, Tl; Y = O, S, Se, Te, Po) are investigated based on first-principles calculations and Landauer formalism. This large family is composed of 25 compounds which stands out with their unique electronic band structures. Mexican hat shaped valence band, which exhibits quartic energy-momentum relation gives rise to a sharp peak in the density of states as well as a steplike electronic transmission spectrum near the valence band edge. The intriguing electronic band structure and transport properties motivate us to explore thermoelectric properties of group III-VI monolayers. We find that, in addition to the stepwise transmission at the band edge, flat bands, valley degeneracy, and band degeneracy are the factors that enhance thermoelectric efficiencies. For heavier compounds, better thermoelectric efficiencies are possible for both n-type and p-type carriers.Article Citation - WoS: 31Citation - Scopus: 32Evaluating the Critical Roles of Precursor Nature and Water Content When Tailoring Magnetic Nanoparticles for Specific Applications(American Chemical Society, 2018) Cotin, Geoffrey; Kiefer, Celine; Perton, Francis; Boero, Mauro; Özdamar, Burak; Bouzid, Assil; Begin-Colin, SylvieBecause of the broad range of application of iron oxide nanoparticles (NPs), the control of their size and shape on demand remains a great challenge, as these parameters are of upmost importance to provide NPs with magnetic properties tailored to the targeted application. One promising synthesis process to tune their size and shape is the thermal decomposition one, for which a lot of parameters were investigated. But two crucial issues were scarcely addressed: the precursors nature and water content. Two in house iron stearates with two or three stearate chains were synthesized, dehydrated, and then tested in standard synthesis conditions of spherical and cubic NPs. Investigations combined with modeling showed that the precursors nature and hydration rate strongly affect the thermal decomposition kinetics and yields, which, in turn, influence the NP size. The cubic shape depends on the decomposition kinetics but also crucially on the water content. A microscopic insight was provided by first-principles simulation showing an iron reduction along the reaction pathway and a participation of water molecules to the building unit formation.Article Citation - WoS: 134Citation - Scopus: 137Structural, Vibrational, and Electronic Properties of Single-Layer Hexagonal Crystals of Group Iv and V Elements(American Physical Society, 2018) Özdamar, Burak; Özbal, Gözde; Çınar, Mustafa Neşet; Sevim, Koray; Kurt, Gizem; Kaya, Birnur; Sevinçli, HaldunUsing first-principles density functional theory calculations, we investigate a family of stable two-dimensional crystals with chemical formula A2B2, where A and B belong to groups IV and V, respectively (A=C, Si, Ge, Sn, Pb; B=N, P, As, Sb, Bi). Two structural symmetries of hexagonal lattices P6m2 and P3m1 are shown to be dynamically stable, named as α- and β -phases correspondingly. Both phases have similar cohesive energies, and the α phase is found to be energetically favorable for structures except CP, CAs, CSb, and CBi, for which the β phase is favored. The effects of spin-orbit coupling and Hartree-Fock corrections to exchange correlation are included to elucidate the electronic structures. All structures are semiconductors except CBi and PbN, which have metallic character. SiBi, GeBi, and SnBi have direct band gaps, whereas the remaining semiconductor structures have indirect band gaps. All structures have quartic dispersion in their valence bands, some of which make the valence band maximum and resemble a mexican-hat shape. SnAs and PbAs have purely quartic valence band edges, i.e., E-αk4, a property reported for the first time. The predicted materials are candidates for a variety of applications. Owing to their wide band gaps, CP, SiN, SiP, SiAs, GeN, GeP can find their applications in optoelectronics. The relative band positions qualify a number of the structures as suitable for water splitting, where CN and SiAs are favorable at all pH values. Structures with quartic band edges are expected to be efficient for thermoelectric applications.Article Citation - WoS: 6Citation - Scopus: 6First-Principles Study of Dissociation Processes for the Synthesis of Fe and Co Oxide Nanoparticles(American Chemical Society, 2018) Özdamar, Burak; Bouzid, Assil; Ori, Guido; Massobrio, Carlo; Boero, MauroThermal decomposition is a practical and reliable tool to synthesize nanoparticles with monodisperse size distribution and reproducible accuracy. The nature of the precursor molecules and their interaction with the environment during the synthesis process have a direct impact on the resulting nanoparticles. Our study focuses on widely used transition-metal (Co, Fe) stearates precursors and their thermal decomposition reaction pathway. We show how the nature of the metal and the presence or absence of water molecules, directly related to the humidity conditions during the synthesis process, affect the decomposition mechanism and the resulting transition-metal oxide building blocks. This, in turn, has a direct effect on the physical and chemical properties of the produced nanoparticles and deeply influences their composition and morphology.