Search Results - "Çakır, Deniz"

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  1. 1

    First-Principles Investigation of Oxidation Mechanisms in MoAlB by Samanta, Bipasa, Çakır, Deniz

    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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  2. 2

    Mechanical and thermal properties of h-MX2 (M = Cr, Mo, W; X = O, S, Se, Te) monolayers: A comparative study by Çakır Deniz, Peeters, François M, Sevik Cem

    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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    Tuning of the electronic and optical properties of single-layer black phosphorus by strain by Çakır, Deniz, Sahin, Hasan, Peeters, François M.

    “…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. 5

    Promising Piezoelectric Performance of Single Layer Transition-Metal Dichalcogenides and Dioxides by Alyörük, M. Menderes, Aierken, Yierpan, Çakır, Deniz, Peeters, Francois M, Sevik, Cem

    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. 6

    Elucidating the Oxidation Mechanisms in Cr2AlB2 Using Density Functional Theory and Thermodynamic Modeling by Omotayo Akande, Salawu, Samanta, Bipasa, Adhikarige, Ushan, Çakır, Deniz

    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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  7. 7

    Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe2AlB2: A First-Principles Study by Samanta, Bipasa, Loh, Yen Lee, Çakır, Deniz

    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. 8

    Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach by Aierken, Yierpan, Çakır, Deniz, Sevik, Cem, Peeters, Francois M.

    “…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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  9. 9

    Alkali Metal Intercalation in MXene/Graphene Heterostructures: A New Platform for Ion Battery Applications by Demiroglu, Ilker, Peeters, François M, Gülseren, Oğuz, Çakır, Deniz, Sevik, Cem

    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 by Siriwardane, Edirisuriya M. D, Demiroglu, Ilker, Sevik, Cem, Peeters, François M, Çakır, Deniz

    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 by Siriwardane, Edirisuriya M. D, Joshi, Rajendra P, Kumar, Neeraj, Çakır, Deniz

    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 by Siriwardane, Edirisuriya M. D, Karki, Pragalv, Loh, Yen Lee, Çakır, Deniz

    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. 13

    Silicene-Like Domains on IrSi3 Crystallites by Nicholls, Dylan, Fatima, Çakır, Deniz, Oncel, Nuri

    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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    Peculiar Piezoelectric Properties of Soft Two-Dimensional Materials by Sevik, Cem, Çakır, Deniz, Gülseren, Oğuz, Peeters, François M

    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 by Siriwardane, Edirisuriya M. D, Çakır, Deniz

    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 by Turgay, Güneş, Eren, Erkan, Eltem, Rengin, Çakır, Deniz, Aydemir, Birsen Çakır

    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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  17. 17

    Determination of Dynamically Stable Electrenes toward Ultrafast Charging Battery Applications by Kocabaş, Tuğbey, Özden, Ayberk, Demiroğlu, İlker, Çakır, Deniz, Sevik, Cem

    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 by Erdal, İzzet, Yıldız, Yılmaz, Yalçın, Siddika Songül, Yirün, Anıl, Çakır, Deniz Arca, Erkekoğlu, Pınar

    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 by Siriwardane, Edirisuriya M.D., Karki, Pragalv, Sevik, Cem, Çakır, Deniz

    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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