Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

Permanent URI for this collectionhttps://hdl.handle.net/11147/7148

Browse

Filters

2018 - 201912020 - 20242

Settings

Publication Index: search.filters.publicationIndex.PubMedSubject: search.filters.subject.2D materials

Search Results

Now showing 1 - 3 of 3
  • Article
    Citation - WoS: 4
    Citation - Scopus: 4
    Ultra-Thin Double-Layered Hexagonal Cui: Strain Tunable Properties and Robust Semiconducting Behavior
    (Iop Publishing Ltd, 2024) Demirok, A. C.; Sahin, H.; Yagmurcukardes, M.
    In this study, the freestanding form of ultra-thin CuI crystals, which have recently been synthesized experimentally, and their strain-dependent properties are investigated by means of density functional theory calculations. Structural optimizations show that CuI crystallizes in a double-layered hexagonal crystal (DLHC) structure. While phonon calculations predict that DLHC CuI crystals are dynamically stable, subsequent vibrational spectrum analyzes reveal that this structure has four unique Raman-active modes, allowing it to be easily distinguished from similar ultra-thin two-dimensional materials. Electronically, DLHC CuI is found to be a semiconductor with a direct band gap of 3.24 eV which is larger than that of its wurtzite and zincblende phases. Furthermore, it is found that in both armchair (AC) and zigzag (ZZ) orientations the elastic instabilities occur over the high strain strengths indicating the soft nature of CuI layer. In addition, the stress-strain curve along the AC direction reveal that DLHC CuI undergoes a structural phase transition between the 4% and 5% tensile uniaxial strains as indicated by a sudden drop of the stress in the lattice. Moreover, the phonon band dispersions show that the phononic instability occurs at much smaller strain along the ZZ direction than that of along the AC direction. Furthermore, the external strain direction can be deduced from the predicted Raman spectra through the splitting rates of the doubly degenerate in-plane vibrations. The mobility of the hole carriers display highly anisotropic characteristic as the applied strain reaches 5% along the AC direction. Due to its anomalous strain-dependent electronic features and elastically soft nature, DLHC of CuI is a potential candidate for future electro-mechanical applications.
  • Article
    Citation - WoS: 62
    Citation - Scopus: 59
    Exponentially Selective Molecular Sieving Through Angstrom Pores
    (Nature Publishing Group, 2021) Sun, Pengzhan; Yağmurcukardeş, Mehmet; Zhang, R.; Kuang, Wenjun; Lozada-Hidalgo, Marcelo; Liu, B. L.; Geim, Andre K.
    Two-dimensional crystals with angstrom-scale pores are widely considered as candidates for a next generation of molecular separation technologies aiming to provide extreme, exponentially large selectivity combined with high flow rates. No such pores have been demonstrated experimentally. Here we study gas transport through individual graphene pores created by low intensity exposure to low kV electrons. Helium and hydrogen permeate easily through these pores whereas larger species such as xenon and methane are practically blocked. Permeating gases experience activation barriers that increase quadratically with molecules’ kinetic diameter, and the effective diameter of the created pores is estimated as ∼2 angstroms, about one missing carbon ring. Our work reveals stringent conditions for achieving the long sought-after exponential selectivity using porous two-dimensional membranes and suggests limits on their possible performance.
  • Article
    Citation - WoS: 3
    Citation - Scopus: 3
    Monolayer Aste2: Stable Robust Metal in 2d, 1d and 0d
    (Wiley, 2018) Badalov, S. V.; Kandemir, Ali; Şahin, Hasan
    The structural, phononic, and electronic properties of the monolayer structures of AsTe2 are characterized by performing density functional theory (DFT) calculations. Total energy optimization and phonon calculations reveal that single layers of the 2H-AsTe2 and 1T-AsTe2 phases form dynamically stable crystal structures. Electronic structure analysis also shows that both 2H and 1T phases have nonmagnetic metallic character. It is also predicted that the metallic nature of the ultra-thin both 2H-AsTe2 and 1T-AsTe2 structures remain unchanged even under high biaxial strain values. For further examination of the dimensionality effect in the robust metallicity in 2D AsTe2 phases, electronic characteristics of 1D nanoribbons and 0D quantum dots are also investigated. It is found that independent from the dimension and crystallographic orientations 0D and 1D structures of 2H- and 1T-AsTe2 structures have metallic behavior. It is found that single layers of AsTe2 are quite promising materials for nanodevice applications owing to the robust metallic character.