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A carbon nanotube-iron (III) oxide nanocomposite as a cathode in dye-sensitized solar cells: Computational modeling and electrochemical investigations
摘要： Here is the evaluating result on the applicability of the multi-walled carbon nanotube (MWCNT) and a-iron (III) oxide (a-Fe2O3) nanocomposite as a cathode material in dye-sensitized solar cells (DSCs). The morphology and the structure of the MWCNT/a-Fe2O3 nanocomposite have characterized by scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), and X-ray elemental mapping analysis. Moreover, the electrochemical performance of the nanocomposite has studied toward the activity of Iˉ/I3ˉ redox couple which represents high current density, low peak-to-peak separation, low charge-transfer resistance, and almost 100% stable response signal. Furthermore, the computational modeling employing the molecular mechanics (MM) and the restricted-Hartree Fock/semiempirical parameterization (RHF/PM6) methods reveals that the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), and the HOMO-LUMO energy gap of the modeled nanocomposite are as (cid:1)6.88, (cid:1)3.62, and 3.26 eV, respectively. These properties match with the electronic-level domino of the DSC structure. Finally, the DSC device has fabricated using N719-sensitized TiO2 photoanode and MWCNT/a-Fe2O3 counter electrode, presenting the open-circuit potential, the short-circuit current density, and the power-conversion ef?ciency of 0.7 V, 20.37 mA cmˉ2, and 6.0%, respectively. This study successfully approves the potential of the nanocomposite as a cathode material in iodine-based dye-sensitized solar cells.
关键词： Dye-sensitized solar cell,Nanocomposite,Carbon nanotube,Molecular mechanics,RHF/PM6,Iron (III) oxide
更新于2025-11-21 11:18:25
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Photovoltaic Properties and Series Resistance of <i>p</i> -Type Si/Intrinsic Si/ <i>n</i> -Type Nanocrystalline FeSi <sub/>2</sub> Heterojunctions Created by Utilizing Facing-Targets Direct-Current Sputtering
摘要： p-Type Si/intrinsic Si/n-type nanocrystalline iron disilicide heterojunctions were created by utilizing facing targets direct-current sputtering at the pressure of 1.33 × 10?1 Pa that investigated the photovoltaic properties. They exhibited a large leakage current and a small energy conversion ef?ciency of 0.62%. From using the method of Nicollian and Brews, the series resistance (Rs) values at zero bias voltage were 7.40 Ω at 2 MHz and 7.57 Ω at 50 kHz, respectively, which were in agreement with that estimated by the means of Norde. From applying the method of Hill-Coleman, the interface state density (Nss) values were 3.15 × 1015 cm?2 eV?1 at 50 kHz and 8.93 × 1013 cm?2 eV?1 at 2 MHz. The obtained results revealed the presence of Rs and Nss at the junction interface, which should be the potential cause of spoiled photovoltaic performance in the heterojunctions.
关键词： Heterojunctions,Facing-Targets Direct-Current Sputtering,Nanocrystalline Iron Disilicide,Series Resistance,Interface State Density
更新于2025-11-14 17:28:48
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In situ synthesis of ternary nickel iron selenides with high performance applied in dye-sensitized solar cells
摘要： Comparing with the binary chalcogenides, the ternary chalcogenides may achieve higher electrical conductivity and electrochemical activity due to the synergistic effect of the different metal cations. Herein, ternary nickel iron selenide (Ni0.5Fe0.5Se2) was fabricated through a facile one-pot solvothermal method with the assistance of glucose for the first time. The dye-sensitized solar cells (DSSCs) were assembled with the as-prepared Ni0.5Fe0.5Se2 as counter electrode (CE). Electrochemical measurements indicated that the Ni0.5Fe0.5Se2 possessed small electron transfer resistance at the interface between electrode and electrolyte, great electrocatalytic activity and reaction kinetics toward the reduction of triiodide. Compared with conventional Pt CE (7.24%), the DSSCs based on Ni0.5Fe0.5Se2 CE achieved a greater power conversion efficiency of 7.89%. Furthermore, this study provides a new idea and strategy with convenient method to synthesize Pt-free alternative materials.
关键词： Counter electrode,Solvothermal method,Dye-sensitized solar cells,Ternary nickel iron selenide
更新于2025-11-14 17:04:02
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Highly Selective Optical Detection of Fe <sup>3+</sup> Ions in Aqueous Solution Using Label-Free Silicon Nanocrystals
摘要： Highly brightness amine-terminated silicon nanocrystals (Si NCs) have been utilized in a simple and rapid assay for the highly selective and sensitive detection of Fe3+ via quenching of their strong blue luminescence, without the need for analyte-specific labeling groups. Sensitive detection of Fe3+ is successfully demonstrated, with a linear relationship observed between luminescence quenching and Fe3+ concentration from 5 × 10?6 to 900 × 10?6 m and a limit of detection of 1.3 × 10?6 m. The Si NCs show excellent selectivity toward Fe3+ ions, with no quenching of the luminescence signal induced by the presence of Fe2+ ions, allowing for solution phase discrimination between the ionic species in different charge states.
关键词： nanocrystal,sensor,iron,optical detection
更新于2025-11-14 15:32:45
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Acid-treated Fe-doped TiO2 as a high performance photocatalyst used for degradation of phenol under visible light irradiation
摘要： The photocatalytic activity of Fe-doped TiO2 nanoparticles is significantly increased by an acid-treatment process. The photocatalyst nanoparticles were prepared using sol–gel method with 0.5 mol% ratio of Fe:Ti in acidic pH of 3. The nanoparticles were structurally characterized by means of X-ray diffraction (XRD), high-resolution transmission electron microscope (HRTEM), energy-dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS) and diffuse reflectance spectroscopy (DRS). It was observed that the photocatalytic activity suffered from an iron oxide contaminating layer deposited on the surface of the nanoparticles. This contamination layer was removed using an HCl acid-treatment process. The photocatalytic activity using 500 mg/L of Fe0.5-TiO2 in a 10 mg/L of phenol solution increased significantly from 33% to 57% (about 73% increase in the performance), within 90 min of reaction time under visible light irradiation. This significant improvement was achieved by removing the iron oxide contamination layer from the surface of the nanoparticles and adjusting pH to mild acidic and basic pHs.
关键词： Kinetics,Iron doping,Phenol degradation,Visible light,Photocatalyst
更新于2025-11-14 15:25:21
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In Situ Generation of AgI Quantum Dots by the Confinement of A?Supramolecular Polymer Network: A Novel Approach for Ultrasensitive Response
摘要： Currently, it is difficult to realize environmentally friendly synthesis of zeolites due to the use of the solvent. Therefore, it is of great importance to realize zeolite synthesis from iron ore tailings (IOTs) by a solvent-free method. In this work, in situ formed zeolite crystals are self-assembled and IOTs are converted into hierarchically porous ZSM-5. After that, the products prepared are characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy and nitrogen adsorption. The results demonstrate that the samples show well-defined crystallinity and have micro-/mesoporous structures. The BET surface area is estimated to be 319.809 m2 g?1 and the external surface area is 92.693 m2 g?1, which indicate the as-synthesized ZSM-5 is a good hierarchically porous material. This work provides a reference for green synthesis of hierarchically porous ZSM-5 from IOT.
关键词： Hierarchical structure,Iron ore tailings,Solvent-free method,ZSM-5
更新于2025-11-14 15:15:56
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Sensing of iron(III)-biomolecules by surfactant-free fluorescent copper nanoclusters
摘要： Surfactant-free copper nanoclusters (sf-CuNCs) synthesized in the absence of external stabilizer, could be promising fluorescence biosensors because of the presence of relatively exposed surfaces that may ease coupling with biomolecules. This article shows that sf-CuNCs are effective fluorescence sensor of iron(III)-biomolecules: hemin, cytochrome C (cyt C), and ferritin. Although, sf-CuNCs are found to be weaker sensor of aqueous Fe3+ (Stern-Volmer constant (KSV) 3.0 × 103 M?1 and limit of detection (LOD) up to 2 μM) compared to other capped CuNCs, however, the sensing ability markedly increases in the presence of Fe(III)-biomolecules. KSV (LOD) are 5.3 × 104 M?1 (0.8 μM), 9.0 × 105 M?1 (68 nM), 1.6 × 106 M?1 (16.50 nM), respectively for cyt C, hemin and ferritin. We carried out detailed mechanistic investigations of the quenching process using time-resolved fluorescence, zeta potential and transmission electron microscopy (TEM) measurements. We found that fluorescence quenching is associated with complexation of Fe3+ with CuNCs which changes zeta potential of the sf-CuNCs and leads to aggregation of CuNCs. Moreover, fluorescence quenching, zeta potential and aggregation of CuNC can be reversed by addition of vitamin C which is a very strong chelator and reducing agent of Fe(III). Vitamin C reduces Fe(III) to Fe(II) and promotes disassembly of CuNCs-aggregates to regenerate fluorescence intensity. Since, the sensing is primarily governed by complex formation with Fe3+, absence of ligands on the surface of sf-CuNCs may be detrimental to quenching to aqueous Fe3+ but favors binding with the biomolecules.
关键词： Iron sensing,Copper nanocluster,Proteins,TEM,Fluorescence
更新于2025-09-23 15:23:52
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Water-Stable Metal–Organic Frameworks with Selective Sensing on Fe <sup>3+</sup> and Nitroaromatic Explosives, and Stimuli-Responsive Luminescence on Lanthanide Encapsulation
摘要： Three water-stable luminescent MOFs [Zn4(bptc)2(NMP)3(DMF)(H2O)2]n (1-a), [Cd4(bptc)2(NMP)3(DMF)2(H2O)1]n (1-b), and {[Zn2(bptc)(DMA)(H2O)2]·(DMA)2·H2O}n (2), possessing similar chemical components (M2:L1:Sol3) and topology structures, were synthesized by solvents control. Their excellent sensing on iron(III) cation and nitroaromatic explosives (NACs) with great selectivity, sensitivity and a high Ksv (4.54 × 10^4 for 1-b on PNP) were observed by quenching effects. Furthermore, Zn-MOFs exhibit interesting stimuli-responsive luminescence enhancement after the encapsulation of a series of IIIB cations stimulated different luminescent emitting and intensity enhancement through host–guest processes of the pores in MOFs, especially for two distinct responses of Zn-MOF on a Tb3+ cation.
关键词： stimuli-responsive,nitroaromatic explosives,luminescent,water-stable,lanthanide encapsulation,iron(III),metal-organic frameworks,sensing
更新于2025-09-23 15:23:52
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ROS dependent antitumour activity of photo-activated iron(III) complexes of amino acids
摘要： Several amino acid-based photo-active monomeric iron(III) complexes of the general formula, [Fe(L)2]?, where L = Schiff base ligands (salisalidene arginine, salicylidenetryptophan, 3,5-di-tert-butyl benzalidine arginine and salicylidene tryptophan) were synthesized, characterized and explored for photo-activated anticancer activity to Chang Liver Cells, HeLa and MCF-7 cells. Complexes exhibited remarkable photo-cytotoxicity with IC50 value to the extent of 0.7 μM to Chang Liver Cells in visible light and there was a 40-fold enhancement in cytotoxicity in comparison to the cytotoxicity in dark. Complexes were non-toxic to MCF-10A (normal cells) in dark and visible light (IC50 > 100 μM in dark; IC50 > 80 μM in visible light) signifying target-speci?c nature of the anti-tumour activity of the complexes. Increased ROS concentration, as probed by DCFDA assay, in the cancer cells was responsible for apoptotic cell death. Decarboxylation or phenolate-Fe(III) charge transfer of photo-activated iron(III) complexes generating ?OH radicals (ROS) were responsible for the apoptosis. Overall, the tumour-selective photo-activated anticancer activity of the amino acid-based iron(III) complexes have shown a promising aspect in developing iron-based photo-chemotherapeutics as the next generation PDT agents.
关键词： ROS generation,photo-activation,Iron(III) complexes,amino acid,photocytotoxicity
更新于2025-09-23 15:23:52
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Tris(N-methylferrocenyl-N-(2-phenylethyl)dithiocarbamato-S,S′)cobalt(III) for anion sensing and preparation of cobalt-iron sulfide nanoparticles: A new photocatalyst for the degradation of dyes
摘要： Tris(N-(pyrrol-2-ylmethyl)-N-butyldithiocarbamato-S,S')cobalt(III) (1) and tris(N-methylferrocenyl-N-(2-phenylethyl)dithiocarbamato-S,S')cobalt(III) (2) have been synthesized and characterized by elemental analysis and spectroscopy (IR, UV-vis and NMR). The elemental analysis and IR, 1H and 13C NMR spectra are consistent with the formation of the cobalt(III) complexes with dithiocarbamate ligands. The anion binding properties of 1 and 2 based on host-guest interaction have been examined with the use of cyclic voltammetry.This study showed that both complexes preferred to bind with I- compared to other halides. 2 has been used as precursors for the preparation of cobalt-iron sulfide nanoparticles. TEM image of cobalt-iron sulfide nanoparticles showed that the particles are spherical. The elemental compositions of the nanoparticles were confirmed by energy dispersive X-ray spectroscopy. IR spectral studies on nanoparticles confirm the presence of capping agent (triethylenetetramine). The nanoparticles were explored as photocatalysts to study the degradation of dyes using methylene blue and rhodamine-B in aqueous solution under UV irradiation. The cobalt-iron sulfide works as an efficient photocatalyst for degradation of rhodamine-B.
关键词： cobalt(III) dithiocarbamate,Anion sensing,single source precursors,nanoparticles,cobalt-iron sulfide
更新于2025-09-23 15:23:52