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Yayak, Yankı Öncü
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01. Izmir Institute of Technology
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Sustainable Development Goals
1NO POVERTY
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2ZERO HUNGER
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3GOOD HEALTH AND WELL-BEING
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4QUALITY EDUCATION
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5GENDER EQUALITY
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6CLEAN WATER AND SANITATION
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7AFFORDABLE AND CLEAN ENERGY
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8DECENT WORK AND ECONOMIC GROWTH
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9INDUSTRY, INNOVATION AND INFRASTRUCTURE
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10REDUCED INEQUALITIES
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11SUSTAINABLE CITIES AND COMMUNITIES
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12RESPONSIBLE CONSUMPTION AND PRODUCTION
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14LIFE BELOW WATER
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15LIFE ON LAND
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16PEACE, JUSTICE AND STRONG INSTITUTIONS
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Scholarly Output
4
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3
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10917/1041
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1
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WoS Citation Count
5
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6
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WoS Citations per Publication
1.25
Scopus Citations per Publication
1.50
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1
| Journal | Count |
|---|---|
| Applied Surface Science | 1 |
| Journal of Applied Physics | 1 |
| Journal of Physical Chemistry C | 1 |
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Article Citation - WoS: 4Citation - Scopus: 4Identification of a Magnetic Phase Via a Raman Spectrum in Single-Layer Mnse: an Ab Initio Study(Elsevier, 2022) Yayak, Yankı Öncü; Şahin, Hasan; Yayak, Yankı Öncü; Yağmurcukardeş, Mehmet; Şahin, Hasan; 04.04. Department of Photonics; 01. Izmir Institute of Technology; 04. Faculty of ScienceMotivated by the recent experimental realization of single-layer two-dimensional MnSe [ACS Nano2021, 15, 13794-13802], structural, magnetic, elastic, vibrational, and electronic properties of single-layer MnSe are investigated by using density functional theory-based calculations. Among four different magnetic phases, namely, ferromagnetic (FM) and Nẽel-, zigzag-, and stripy-antiferromagnetic (AFM) phases, the Nẽel-AFM structure is found to be the energetically most favorable phase. Structural optimizations show the formation of in-plane anisotropy within the structures of zigzag- and stripy-AFM phases in single-layer MnSe. For the dynamically stable four magnetic phases, predicted Raman spectra reveal that each phase exhibits distinctive vibrational features and can be distinguished from each other. In addition, the elastic constants indicate the mechanical stability of each magnetic phase in single-layer MnSe and reveal the soft nature of each phase. Moreover, electronic band dispersion calculations show the indirect band gap semiconducting nature with varying electronic band gap energies for all magnetic phases. Furthermore, the atomic orbital-based density of states reveals the existence of out-of-plane orbitals dominating the top valence states in zigzag- and stripy-AFM phases, giving rise to the localized states. The stability of different magnetic phases and their distinct vibrational and electronic properties make single-layer MnSe a promising candidate for nanoelectronic and spintronic applications.Article Citation - WoS: 1Citation - Scopus: 1First-Principles Investigation of Structural, Raman and Electronic Characteristics of Single Layer Ge3n4(Elsevier, 2022) Yayak, Yankı Öncü; Şahin, Hasan; Sözen, Yiğit; Yayak, Yankı Öncü; Tan, Fırat; Sözen, Yiğit; Güngen, Deniz; Yağmurcukardeş, Mehmet; Gao, Q.; Kang, J.; Yağmurcukardeş, Mehmet; Şahin, Hasan; 04.04. Department of Photonics; 01. Izmir Institute of Technology; 04. Faculty of ScienceBy means of density functional theory-based first-principle calculations, the structural, vibrational and electronic properties of single-layer Ge3N4 are investigated. Structural optimizations and phonon band dispersions reveal that single-layer ultrathin form of Ge3N4 possesses a dynamically stable buckled structure with large hexagonal holes. Predicted Raman spectrum of single-layer Ge3N4 indicates that the buckled holey structure of the material exhibits distinctive vibrational features. Electronic band dispersion calculations indicate the indirect band gap semiconducting nature of single-layer Ge3N4. It is also proposed that single-layer Ge3N4 forms type-II vertical heterostructures with various planar and puckered 2D materials except for single-layer GeSe which gives rise to a type-I band alignment. Moreover, the electronic properties of single-layer Ge3N4 are investigated under applied external in-plane strain. It is shown that while the indirect gap behavior of Ge3N4 is unchanged by the applied strain, the energy band gap increases (decreases) with tensile (compressive) strain. © 2021 Elsevier B.V.Master Thesis First-Principles Investigation of Novel Single-Layers and Heterostructures of Group Iii-Iv Elements(01. Izmir Institute of Technology, 2022) Yayak, Yankı Öncü; Yıldız, Ümit Hakan; Yıldız, Ümit Hakan; 01. Izmir Institute of Technology; 04.01. Department of Chemistry; 04. Faculty of ScienceSince the discovery of graphene, two-dimensional materials have been the focus of interest in various branches in scientific community. Wide range of ultra-thin materials have been investigated both theoretically and experimentally such as metal chalcogenides, Xenes and h-BN. In addition to this, two-dimensional (2D) van der Waals heterojunctions have become one of the central research topics due to their wide range of possibilities. Since 2D van der Waals heterostructures are combinations of two or more ultra-thin materials with different properties, creating a heterostructure with desired optical, electrical and/or mechanical property is theoretically probable. Motivated by these, this thesis focus on the investigation of structural, vibrational and electronic properties of 2D materials and their heterostructures by means of density functional theory-based first-principle calculations. In chapter 3, single-layer Ge3N4 is shown to be both electronically and dynamically stable. Also, simulated Raman spectrum of single-layer Ge3N4 have characteristic vibrational properties. Another property of single-layer Ge3N4 is that it is a indirect band gap semiconductor and this property is uneffected by external strain. And lastly, the value of band gap varies with the applied external strain. In chapter 4, a dynamically stable single layer structure of AlAs is proposed and four possible stackings of AlAs/InSe heterobilayer were investigated. Electronic band dispersions revealed that all four stackings are direct band gap semiconductors and have type-II alignment. Moreover, simumlated raman spectra revelaed that identification of the 1T and 2H phase can be done with Raman spectroscopy. The band gap can be tuned based on the direction and magnitude of the electric field. Direct to indirect band gap transition as well as heterojunction type changes from type II to type I occurs under negative electric field.Article Citation - Scopus: 1A Perspective on the State-Of Functionalized 2d Materials(American Institute of Physics, 2023) Yağmurcukardeş, Mehmet; Yayak, Yankı Öncü; Aydın, Hasan; Peeters, François M.; Yağmurcukardeş, Mehmet; 04.04. Department of Photonics; 01. Izmir Institute of Technology; 04. Faculty of ScienceTwo-dimensional (2D) ultra-thin materials are more crucial than their bulk counterparts for the covalent functionalization of their surface owing to atomic thinness, large surface-to-volume ratio, and high reactivity of surface atoms having unoccupied orbitals. Since the surface of a 2D material is composed of atoms having unoccupied orbitals, covalent functionalization enables one to improve or precisely modify the properties of the ultra-thin materials. Chemical functionalization of 2D materials not only modifies their intrinsic properties but also makes them adapted for nanotechnology applications. Such engineered materials have been used in many different applications with their improved properties. In the present Perspective, we begin with a brief history of functionalization followed by the introduction of functionalized 2D materials. Our Perspective is composed of the following sections: the applications areas of 2D graphene and graphene oxide crystals, transition metal dichalcogenides, and in-plane anisotropic black phosphorus, all of which have been widely used in different nanotechnology applications. Finally, our Perspectives on the future directions of applications of functionalized 2D materials are given. The present Perspective sheds light on the current progress in nanotechnological applications of engineered 2D materials through surface functionalization. © 2023 Author(s).