Browsing by Author "Görkan, T."
Now showing items 1-9 of 9
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Above room temperature ferromagnetism in Gd2B2 monolayer with high magnetic anisotropy
(American Chemical Society, 2020)The realization of 2D ultrathin crystals with a ferromagnetic ground state that is sustainable at room temperature has been a real challenge now. By combining ab initio density functional theory with Monte Carlo simulations, ... -
Deformed octagon-hexagon-square structure of group-IV and group-V elements and III-V compounds
(American Physical Society, 2019)We report the prediction of a two-dimensional (2D) allotrope common to group-IV and group-V elements and III-V compounds, which consist of two nonplanar atomic layers connected by vertical bonds and form deformed octagon, ... -
Enhanced interactions of amino acids and nucleic acid bases with bare black phosphorene monolayer mediated by coadsorbed species
(American Chemical Society, 2019)In this paper, we characterize amino acids and nucleic acid bases (nucleobases), such as glutamine, histidine, tyrosine, adenine, guanine, cytosine, and thymine, and examine their interaction with bare, as well as with ... -
Free-standing and supported phosphorene nanoflakes: Shape- and size-dependent properties
(Elsevier, 2020-01-01)The ultra-small sized nanomaterials are important for basic functional components of future nanoelectronics, spintronics and sensor devices. In this study, based on first-principles density functional theory, the free-standing ... -
Interactions of selected organic molecules with a blue phosphorene monolayer: self-assembly, solvent effect, enhanced binding and fixation through coadsorbed gold clusters
(Royal Society of Chemistry, 2020)In this paper we investigate the interaction between a pristine blue phosphorene monolayer and selected organic molecules like amino acids and nucleic acid bases. These molecules are bound to the substrate by a weak van ... -
Mechanical and electrical monitoring in the dynamics of twisted phosphorene nanoflakes on 2D monolayers
(American Chemical Society, 2019)We investigated the rotational and translational dynamics of hydrogen-passivated, black phosphorene and blue phosphorene nanoflakes of diverse size and geometry anchored to graphene, black phosphorene, blue phosphorene, ... -
Novel metallic clathrates of group-IV elements and their compounds in a dense hexagonal lattice
(American Chemical Society, 2019)Further, to recently introduced metallic NaSi6 and Si6 clathrate structures, we show that not only Si but also other group-IV elements, such as C, Ge, and Sn, can form stable and metallic clathrate structures with open ... -
Stability and electronic properties of monolayer and multilayer structures of group-IV elements and compounds of complementary groups in biphenylene network
(American Physical Society, 2022-01-07)We predict that specific group-IV elements and IV-IV, III-V, and II-VI compounds can form stable, freestanding two-dimensional (2D) monolayers consisting of octagon, hexagon, and square rings (ohs), in which the threefold ... -
Two dimensional ruthenium carbide: structural and electronic features
(Royal Society of Chemistry, 2020)The design and realization of novel 2D materials and their functionalities have been a focus of research inspired by the successful synthesis of graphene and many other 2D materials. In this study, in view of first principles ...
