Search Results - "Çakır, Deniz"
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First-Principles Investigation of Oxidation Mechanisms in MoAlB
Published in Journal of physical chemistry. C (02-11-2023)“…MoAlB’s remarkable oxidation resistance, attributed to a protective Al2O3 scale, necessitates computational analysis for deeper insights into its oxidation…”
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Mechanical and thermal properties of h-MX2 (M = Cr, Mo, W; X = O, S, Se, Te) monolayers: A comparative study
Published in Applied physics letters (19-05-2014)“…Using density functional theory, we obtain the mechanical and thermal properties of MX2 monolayers (where M = Cr, Mo, W and X = O, S, Se, Te). The Γ-centered…”
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3
Significant effect of stacking on the electronic and optical properties of few-layer black phosphorus
Published in Physical review. B, Condensed matter and materials physics (08-10-2015)Get full text
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Tuning of the electronic and optical properties of single-layer black phosphorus by strain
Published in Physical review. B, Condensed matter and materials physics (17-11-2014)“…Using first principles calculations we showed that the electronic and optical properties of single-layer black phosphorus (BP) depend strongly on the applied…”
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5
Promising Piezoelectric Performance of Single Layer Transition-Metal Dichalcogenides and Dioxides
Published in Journal of physical chemistry. C (08-10-2015)“…Piezoelectricity is a unique material property that allows one to convert mechanical energy into electrical one or vice versa. Transition metal dichalcogenides…”
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6
Elucidating the Oxidation Mechanisms in Cr2AlB2 Using Density Functional Theory and Thermodynamic Modeling
Published in Journal of physical chemistry. C (15-02-2024)“…We thoroughly investigated the oxidation behavior of Cr2AlB2 surfaces using a combination of density functional theory and thermodynamic modeling. Our analysis…”
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Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe2AlB2: A First-Principles Study
Published in Journal of physical chemistry. C (25-01-2024)“…Fe2AlB2 boasts promising magnetocaloric properties and anisotropic magnetic behavior. This study explores the impact of elemental substitutions on its magnetic…”
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8
Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach
Published in Physical review. B, Condensed matter and materials physics (19-08-2015)“…Different allotropes of phosphorene are possible of which black and blue phosphorus are the most stable. While blue phosphorus has isotropic properties, black…”
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Alkali Metal Intercalation in MXene/Graphene Heterostructures: A New Platform for Ion Battery Applications
Published in The journal of physical chemistry letters (21-02-2019)“…The adsorption and diffusion of Na, K, and Ca atoms on MXene/graphene heterostructures of MXene systems Sc2C(OH)2, Ti2CO2, and V2CO2 are systematically…”
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Assessment of Sulfur-Functionalized MXenes for Li-Ion Battery Applications
Published in Journal of physical chemistry. C (01-10-2020)“…The surface termination of MXenes greatly determines the electrochemical properties and ion kinetics on their surfaces. So far, hydroxyl-, oxygen-, and…”
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Revealing the Formation Energy–Exfoliation Energy–Structure Correlation of MAB Phases Using Machine Learning and DFT
Published in ACS applied materials & interfaces (01-07-2020)“…MAB phases became popular as ultrahigh-temperature materials with high damage tolerance and excellent electrical conductivity. MAB is used to exfoliate…”
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Strain–Spintronics: Modulating Electronic and Magnetic Properties of Hf2MnC2O2 MXene by Uniaxial Strain
Published in Journal of physical chemistry. C (16-05-2019)“…Next-generation spintronic nanoscale devices require two-dimensional (2D) materials with robust ferromagnetism. Among 2D materials, MXenes are favorable for…”
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13
Silicene-Like Domains on IrSi3 Crystallites
Published in Journal of physical chemistry. C (28-03-2019)“…Recently, silicene, the graphene equivalent of silicon, has attracted a lot of attention because of its compatibility with Si-based electronics. So far,…”
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14
Peculiar Piezoelectric Properties of Soft Two-Dimensional Materials
Published in Journal of physical chemistry. C (07-07-2016)“…Group II–VI semiconductor honeycomb monolayers have a noncentrosymmetric crystal structure and therefore are expected to be important for nano piezoelectric…”
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Enhanced Electrochemical Storage Properties of Na- and Mg-Intercalated B‑Doped-Graphene Based Heterostructures and Bilayers
Published in Journal of physical chemistry. C (16-01-2020)“…Modern technology requires novel materials to develop efficient storage systems, which offer high storage capacities and charging/discharging rates while…”
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Molecular characterization of Trichoderma spp. isolates in mushroom‐growing farms in Turkey and their effects on Agaricus bisporus production
Published in Plant pathology (01-09-2023)“…Mushroom production is highly affected by green mould disease, which causes severe losses worldwide. This study aimed to characterize Trichoderma spp. isolates…”
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Determination of Dynamically Stable Electrenes toward Ultrafast Charging Battery Applications
Published in The journal of physical chemistry letters (02-08-2018)“…Electrenes, an atomically thin form of layered electrides, are very recent members of the 2D materials family. In this work, we employed first-principle…”
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Heavy Metal and Trace Element Status and Dietary Determinants in Children with Phenylketonuria
Published in Nutrients (12-10-2024)“…Heavy metals are a group of metals and metalloids that have a relatively high density. They can cause toxicity even at very low levels. Trace elements are…”
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Electronic and mechanical properties of stiff rhenium carbide monolayers: A first-principles investigation
Published in Applied surface science (15-11-2018)“…•Using first-principle calculations, we predicted two stable ReC monolayers.•All stable monolayers display metallic properties.•ReC monolayers with MXene…”
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Multicenter prospective surveillance study of viral agents causing meningoencephalitis
Published in Scientific reports (30-03-2021)“…The frequency of bacterial factors causing central nervous system infections has decreased as a result of the development of our national immunization program…”
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