Photonics / Fotonik
Permanent URI for this collectionhttps://hdl.handle.net/11147/2590
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Article Citation - WoS: 6Citation - Scopus: 6Polar Solvent-Free Room Temperature Synthesis of Cspbx3 (x = Br, Cl) Perovskite Nanocubes(Royal Society of Chemistry, 2023) Güvenç, Çetin Meriç; Kocabaş, Aşkın; Balcı, SinanConventionally, colloidal lead halide perovskite nanocubes have been synthesized by the hot-injection or ligand-assisted reprecipitation (LARP) methods. We herein demonstrate a polar solvent-free room temperature method for the synthesis of CsPbX3 (X = Br, Cl) nanocubes. In addition to the commonly used ligand pair of oleylamine and oleic acid, guanidinium (GA) has been used to passivate the surface of the nanocrystals. Our study demonstrates that GA inhibits the formation of low dimensional structures such as nanowires and nanoplatelets and further supports the formation of perovskite nanocubes. In fact, GA diminishes the restricted monomer-addition effect of long-chain oleylammonium (OLAM) ions to the nanocrystal. We show that above a critical GA/OLAM molar ratio, the synthesis yields homogeneous CsPbX3 (X = Br, Cl) nanocubes. Importantly, we observe the nucleation and growth kinetics of the GA-assisted CsPbBr3 nanocube formation by using in situ absorption and photoluminescence (PL) measurements. Small nanocrystals with an excitonic absorption peak at around 435 nm and photoluminescence (PL) maxima at 447 nm were nucleated and continuously shifted to longer wavelengths during the growth period. Crucially, our method allows the synthesis of CsPbCl3 nanocubes at room temperature without using polar organic solvents. The synthesized CsPbBr3, CsPb(Cl0.5Br0.5)3, and CsPbCl3 nanocubes have PL peaks at 508 nm, 443 nm, and 405 nm, photoluminescence quantum yields (PLQY) of 85%, 58% and 5%, and lifetimes of 18.98 ns, 18.97 ns, and 14.74 ns, respectively.Article Citation - WoS: 2Citation - Scopus: 2High-Throughput Analysis of Tetragonal Transition Metal Xenes(Royal Society of Chemistry, 2022) Šabani, Denis; Milošević, Milorad V.; Yorulmaz, Uğur; Yağmurcukardeş, Mehmet; Sevik, CemWe report a high-throughput first-principles characterization of the structural, mechanical, electronic, and vibrational properties of tetragonal single-layer transition metal Xenes (t-TMXs). Our calculations revealed 22 dynamically, mechanically and chemically stable structures among the 96 possible free-standing layers present in the t-TMX family. As a fingerprint for their structural identification, we identified four characteristic Raman active phonon modes, namely three in-plane and one out-of-plane optical branches, with various intensities and frequencies depending on the material in question. Spin-polarized electronic calculations demonstrated that anti-ferromagnetic (AFM) metals, ferromagnetic (FM) metals, AFM semiconductors, and non-magnetic semiconductor materials exist within this family, evidencing the potential of t-TMXs for further use in multifunctional heterostructures.Article Citation - WoS: 2Citation - Scopus: 2Magnetic Single-Layer Nanoribbons of Manganese Oxide: Edge- and Width-Dependent Electronic Properties(Royal Society of Chemistry, 2022) Sözen, Yiğit; Topkıran, Uğur; Şahin, HasanIn the present work, the structural, magnetic, and electronic properties of the two- and one-dimensional honeycomb structures of recently synthesized MnO [Zhang et al., Hexagonal metal oxide monolayers derived from the metal-gas interface, Nat. Mater., 2021, 20, 1073-1078] are investigated by using first-principles calculations. Our calculations show that the single-layer 2D MnO crystal has a degenerate antiferromagnetic (AFM) ground state and a relatively less favorable ferromagnetic (FM) state. In addition, the magnetic anisotropy calculations unveil that the easy-axis direction for magnetism originating from unpaired electron states in manganese atoms is normal to the crystal plane. Electronically, while the FM MnO is a direct semiconductor with a narrow bandgap, AFM phases display large indirect bandgap semiconducting behavior. Moreover, the calculations on nanoribbons of MnO reveal that zigzag-edged ribbons display metallic behaviors, whereas armchair-edged nanoribbons are semiconductors. Magnetically, for both zigzag- or armchair-edged nanoribbons, the AFM order perpendicular to the nanoribbon growth direction is found to be favorable over the other AFM and FM orders. Moreover, depending on the edge symmetry and ribbon width, forbidden bandgap values of nanoribbons display distinct family behaviors.Article Citation - WoS: 6Citation - Scopus: 7Interface-Dependent Phononic and Optical Properties of Geo/Moso Heterostructures(Royal Society of Chemistry, 2022) Yağmurcukardeş, Mehmet; Sözen, Yiğit; Başkurt, Mehmet; Peeters, François M.; Şahin, HasanThe interface-dependent electronic, vibrational, piezoelectric, and optical properties of van der Waals heterobilayers, formed by buckled GeO (b-GeO) and Janus MoSO structures, are investigated by means of first-principles calculations. The electronic band dispersions show that O/Ge and S/O interface formations result in a type-II band alignment with direct and indirect band gaps, respectively. In contrast, O/O and S/Ge interfaces give rise to the formation of a type-I band alignment with an indirect band gap. By considering the Bethe-Salpeter equation (BSE) on top of G0W0 approximation, it is shown that different interfaces can be distinguished from each other by means of the optical absorption spectra as a consequence of the band alignments. Additionally, the low-and high-frequency regimes of the Raman spectra are also different for each interface type. The alignment of the individual dipoles, which is interface-dependent, either weakens or strengthens the net dipole of the heterobilayers and results in tunable piezoelectric coefficients. The results indicate that the possible heterobilayers of b-GeO/MoSO asymmetric structures possess various electronic, optical, and piezoelectric properties arising from the different interface formations and can be distinguished by means of various spectroscopic techniques.