PubMed İndeksli Yayınlar Koleksiyonu
Permanent URI for this collectionhttps://hdl.handle.net/20.500.12573/397
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Article Citation - WoS: 15Citation - Scopus: 14Understanding Plasmon Coupling in Nanoparticle Dimers Using Molecular Orbitals and Configuration Interaction(Royal Soc Chemistry, 2019) Alkan, Fahri; Aikens, Christine M.We perform a theoretical investigation of the electronic structure and optical properties of atomic nanowire and nanorod dimers using DFT and TDDFT. In both systems at separation distances larger than 0.75 nm, optical spectra show a single feature that resembles the bonding dipole plasmon (BDP) mode. A configuration interaction (CI) analysis shows that the BDP mode arises from constructive coupling of transitions, whereas the destructive coupling does not produce significant oscillator strength for such separation distances. At shorter separation distances, both constructive and destructive coupling produce oscillator strength due to wave-function overlap, which results in multiple features in the calculated spectra. Our analysis shows that a charge-transfer plasmon (CTP) mode arises from destructive coupling of transitions, whereas the BDP results from constructive coupling of the same transitions at shorter separation distances. Furthermore, the coupling elements between these transitions are shown to depend heavily on the amount of exact Hartree-Fock exchange (HFX) in the functional, which affects the splitting of CTP and BDP modes. With 50% HFX or more, the CTP and BDP modes mainly merge into a single feature in the spectra. These findings suggest that the effects of exact exchange must be assessed during the prediction of CTP modes in plasmonic systems.Article Sustainable Next-Generation Color Converters From P. Harmala Seed Extracts for Solid-State Lighting(Royal Soc Chemistry, 2024) Erdem, Talha; Orenc, Ali; Akcan, Dilber; Duman, Fatih; Soran-Erdem, ZelihaTraditional solid-state lighting heavily relies on color converters, which often have a significant environmental footprint. As an alternative, natural materials such as plant extracts could be employed if their low quantum yields (QYs) in liquid and solid states were higher. With this motivation, here, we investigate the optical properties of aqueous P. harmala extract, develop efficient color-converting solids through a cost-effective and environmentally friendly method, and integrate them with light-emitting diodes (LEDs). To achieve high-efficiency solid hosts for P. harmala-based fluorophores, we optically and structurally compare two crystalline and two cellulose-based platforms. Structural analyses reveal that sucrose crystals, cellulose-based cotton, and paper platforms enable a relatively homogeneous distribution of fluorophores compared to KCl crystals. Optical characterization demonstrates that the extracted solution and the extract-embedded paper possess QYs of 75.6% and 44.7%, respectively, whereas the QYs of the cotton, sucrose, and KCl crystals remain below 10%. We demonstrated that the paper host with the highest efficiency causes a blueshift in the P. harmala fluorescence, whereas the cotton host induces a redshift. We attribute this to the passivation of nonradiative transitions related to the structure of the hosts. Subsequently, as a proof-of-concept demonstration, we integrate the as-prepared efficient solids of P. harmala for the first time with a light-emitting diode (LED) chip to produce a color-converting LED. The resulting blue-emitting LED achieves a luminous efficiency of 21.9 lm W-elect(-1) with CIE color coordinates of (0.139, 0.070). These findings mark a significant step toward the utilization of plant-based fluorescent biomolecules in solid-state lighting, offering promising environmentally friendly organic color conversion solutions for future lighting applications.Article Citation - WoS: 75Citation - Scopus: 80From 2-Methylimidazole to 1,2,3-Triazole: A Topological Transformation of ZIF-8 and ZIF-67 by Post-Synthetic Modification(Royal Soc Chemistry, 2017) Erkartal, Mustafa; Erkilic, Ufuk; Tam, Benjamin; Usta, Hakan; Yazaydin, Ozgur; Hupp, Joseph T.; Sen, UnalBridging ligand replacement in zeolitic imidazolate frameworks, ZIF-8 and ZIF-67, by 1,2,3-triazole was investigated. A complete substitution of 2-methylimidazole by 1,2,3-triazole resulted in a topological transformation of the parent framework from a sodalite (SOD) network to a diamond (DIA) network.Article Citation - WoS: 26Citation - Scopus: 27A Simple Approach to Prepare Self-Assembled, Nacre-Inspired Clay/Polymer Nanocomposites(Royal Soc Chemistry, 2020) Xu, P.; Erdem, T.; Eiser, E.Inspired by the relationship between the well-ordered architecture of aragonite crystals and biopolymers found in natural nacre, we present a facile strategy to construct large-scale organic/inorganic nacre-mimetics with hierarchical structureviaa water-evaporation driven self-assembly process. We connect LAPONITE (R)-nanoclay platelets with each other using carboxymethyl cellulose, a cellulose derivative, thus creating thin, flexible films with a local brick-and-mortar architecture. The dried films show a pronounced resistance against tensile forces allowing for stronger thin films than nacre. In terms of functionalities, we report excellent glass-like transparency along with exceptional shape-persistent flame shielding. We also demonstrate that through metal ion-coordination we can further strengthen the interactions between the polymers and the nanoclays, and thus enhanced mechanical, and thermal properties as well as resistance against swelling and dissolution in aqueous environments. We believe that our simple pathway to fabricate such versatile polymer/clay nanocomposites can open avenues for inexpensive production of environmentally friendly, biomimetic materials in aerospace, wearable electrical devices, and in the food packaging industry.