Chemistry / Kimya

Permanent URI for this collectionhttps://hdl.handle.net/11147/4072

Browse

Filters

2017 - 201912020 - 20221

Settings

Publisher: search.filters.publisher.ElsevierWoS Q: search.filters.wosQuartile.Q3

Search Results

Now showing 1 - 2 of 2
  • Article
    Citation - WoS: 4
    Citation - Scopus: 4
    Identification of a Magnetic Phase Via a Raman Spectrum in Single-Layer Mnse: an Ab Initio Study
    (Elsevier, 2022) Yayak, Yankı Öncü; Şahin, Hasan; Yağmurcukardeş, Mehmet
    Motivated 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: 5
    Citation - Scopus: 6
    Determination of Force-Free Wet Adhesion of Mussel-Inspired Polymers To Spin Labeled Surface
    (Elsevier, 2017) Kırpat, İklima; Göksel, Yaman; Karakuş, Erman; Emrullahoğlu, Mustafa; Akdoğan, Yaşar
    Hydration repulsive forces oppose the adhesive interactions, especially in the force-free conditions. Here, we studied spontaneous wet adhesion of 3,4-dihydroxyphenylalanine (DOPA) functionalized poly(ethylene glycol) (PEG) polymers inspired by marine mussels. Using electron paramagnetic resonance (EPR) spectroscopy, we can monitor spontaneous adhesion of DOPA containing polymer to suspended spin labeled hydrophobic polystyrene nanobeads at molecular level. The surface coverage up to 82% is obtained from EPR measurements. However, in the force-free condition, EPR measurements do not show any detectable DOPA based adhesion to hydrophilic silica nanobead.