Advancements in Carbazole-Based Sensitizers and Hole-Transport Materials for Enhanced Photovoltaic Performance.

Carbazole-based molecules play a significant role in dye-sensitized solar cells (DSSCs) due to their advantageous properties. Carbazole derivatives are known for their thermal stability, high hole-transport capability, electron-rich (p-type) characteristics, elevated photoconductivity, excellent chemical stability, and commercial availability. This review focuses on DSSCs, including their structures, working principles, device characterization, and the photovoltaic performance of carbazole-based derivatives.

Enhanced Photovoltaic Performance of Poly(3,4-Ethylenedioxythiophene)Poly(-Alkylcarbazole) Copolymer-Based Counter Electrode in Dye-Sensitized Solar Cells.

Conducting polymers are emerging as promising alternatives to rare and expensive platinum for counter electrodes in dye-sensitized solar cells; due to their ease of synthesis, they can be chemically tuned and are suitable for roll-to-roll production. Among these, poly (3,4-ethylenedioxythiophene) (PEDOT)-based counter electrodes have shown leading photovoltaic performance. However, certain conductivity issues remain that affect the effectiveness of these counter electrodes.

Unlocking the Luminescent Potential of Fish-Scale-Derived Carbon Nanoparticles for Multicolor Conversion.

This study introduces a novel approach to addressing environmental issues by developing fish-scale carbon nanoparticles (FSCNPs) with a wide range of colors from discarded fish scales. The process involves hydrothermally synthesizing raw tamban (Sardinella) fish scales sourced from Universal Canning, Inc. in Zamboanga City, Philippines.

Trade-Off between Degradation Efficiency and Recyclability: Zeolite-Enhanced NiCoS Catalyst for Photocatalytic Degradation of Methylene Blue.

We herein report successful syntheses of both nickel cobalt sulfide (NCS) and its composite with zeolite (NCS@Z) using a solvothermal method. Techniques such as EDX analysis, SEM, and molar ratio determination were used for product characterization. The incorporation of NCS significantly changed the surface roughness and active sites of the zeolite, improving the efficiency of methylene blue degradation and its reusability, especially under UV irradiation.

Heterogeneous (gas-solid) chemistry of atmospheric Cr: A case study of Astana, Kazakhstan.

Hexavalent chromium (Cr(VI)) is a known carcinogen derived from both anthropogenic and natural sources. This work reports the size-segregated concentrations of total Cr(VI) in particulate matter (PM) in Astana, the capital of Kazakhstan, and provides new insights into the gas-solid reactions of atmospheric Cr. A study of total Cr(VI) in the particulate matter, via a microwave-assisted digestion technique, was conducted using a 5-stage Sioutas Cascade impactor that captures airborne particles in size ranges: >2.

Efficient One-Step Synthesis of a Pt-Free ZnCoS Counter Electrode for Dye-Sensitized Solar Cells and Its Versatile Application in Photoelectrochromic Devices.

In this study, we synthesized a ternary transition metal sulfide, ZnCoS (ZCS-CE), using a one-step solvothermal method and explored its potential as a Pt-free counter electrode for dye-sensitized solar cells (DSSCs). Comprehensive investigations were conducted to characterize the structural, morphological, compositional, and electronic properties of the ZCS-CE electrode. These analyses utilized a range of techniques, including X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy.

Ultrasensitive fluorescent carbon dot sensor for quantification of soluble and insoluble Cr(VI) in particulate matter.

This study investigates advanced functional materials to address the need for practical and affordable analytical techniques for monitoring large amounts of insoluble Cr(VI). N,S-doped fluorescent carbon dots (f-CDs) were fabricated through microwave synthesis, with an average diameter of 10 nm. These f-CDs were explored as potential sensors for detecting Cr(VI) in ambient particulate matter (PM).

Flexing the Spectrum: Advancements and Prospects of Flexible Electrochromic Materials.

The application potential of flexible electrochromic materials for wearable devices, smart textiles, flexible displays, electronic paper, and implantable biomedical devices is enormous. These materials offer the advantages of conformability and mechanical robustness, making them highly desirable for these applications. In this review, we comprehensively examine the field of flexible electrochromic materials, covering topics such as synthesis methods, structure design, electrochromic mechanisms, and current applications.

Recent Advances in Molecular Dynamics Simulations of Tau Fibrils and Oligomers.

The study of tau protein aggregation and interactions with other molecules or solvents using molecular dynamics simulations (MDs) is of interest to many researchers to propose new mechanism-based therapeutics for neurodegenerative diseases such as Alzheimer's disease, Pick's disease, chronic traumatic encephalopathy, and other tauopathies. In this review, we present recent MD simulation studies of tau oligomers and fibrils such as tau-NPK, tau-PHF, tau-K18, and tau-R3-R4 monomers and dimers. All-atom simulations by replica exchange MDs and coarse-grained MDs in lipid bilayers and in solution were used.

N,Zn-Doped Fluorescent Sensor Based on Carbon Dots for the Subnanomolar Detection of Soluble Cr(VI) Ions.

The development of a fluorescent sensor has attracted much attention for the detection of various toxic pollutants in the environment. In this work, fluorescent carbon dots (N,Zn-CDs) doped with nitrogen and zinc were synthesized using citric acid monohydrate and 4-pyridinecarboxyaldehyde as carbon and nitrogen sources, respectively. The synthesized N,Zn-CDs served as an "off" fluorescence detector for the rapid and sensitive detection of hexavalent chromium ions (Cr(VI)).

Quantification and the sources identification of total and insoluble hexavalent chromium in ambient PM: A case study of Aktobe, Kazakhstan.

Hexavalent chromium (Cr(VI)), a known carcinogen, emanates from both anthropogenic and natural sources. A pilot study of the ambient Cr(VI) concentrations was conducted at the center of Aktobe which is a few kilometers away from major industrial chromium plants. Total Cr(VI) concentrations were measured in the fall and winter seasons with mean values (S.

A Morphological Study of Solvothermally Grown SnO Nanostructures for Application in Perovskite Solar Cells.

Tin(IV) oxide (SnO) nanostructures, which possess larger surface areas for transporting electron carriers, have been used as an electron transport layer (ETL) in perovskite solar cells (PSCs). However, the reported power conversion efficiencies (PCEs) of this type of PSCs show a large variation. One of the possible reasons for this phenomenon is the low reproducibility of SnO nanostructures if they are prepared by different research groups using various growth methods.

Tau fibril with membrane lipids: Insight from computational modeling and simulations.

The microtubule-binding protein tau has been the center of researches concerning Alzheimer's disease (AD) due to several clinical trials of β-amyloid therapies failing recently. The availability of the tau fibril structure from AD brain enables computational modeling studies to calculate binding affinities with different ligands. In this study, the tau paired helical filaments (PHF-Tau) (PDB ID: 5O3L) was used as receptor and interactions with the lipids: 3-alpha-cholesterol; 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine; and C18:1 sphingomyelin, were explored with molecular docking, molecular dynamics, and natural bond orbital analysis.

Zinc metal-organic framework with 3-pyridinecarboxaldehyde and trimesic acid as co-ligands for selective detection of Cr (VI) ions in aqueous solution.

There is an increasing need for the development of probes for the detection of hexavalent chromium since it is a known carcinogen, which can cause adverse effects on human health. Metal-organic frameworks (MOFs) have shown successful detection and removal of hazardous substances from aqueous media. This work presents the use of simple organic ligands such as 3-pyridinecarboxaldehyde and trimesic acid with Zn(II) ion to fabricate a new MOF that exhibits sensitive and selective luminescence quenching response towards CrO and CrO species in aqueous solution.

Nanostructured flower-shaped CuCoS as a Pt-free counter-electrode for dye-sensitized solar cells.

We demonstrated a solvothermally prepared cost-effective, mesoporous, and high surface area nanostructured flower-shaped CuCo2S4 counter-electrode for dye-sensitized solar cells. The new counter electrode exhibited comparable results with a traditional Pt-based counter electrode, 7.56% vs.

POCN Ni(ii) pincer complexes: synthesis, characterization and evaluation of catalytic hydrosilylation and hydroboration activities.

A series of iminophosphinite POCN pincer Ni(ii) complexes, (POCN)NiMe and (POCN)NiL(BX) (L = CHCN, n = 0, 1; X = F, Ph, CF), have been developed and subjected to catalytic hydrosilylation of alkenes, aldehydes and ketones and hydroboration of carbonyl compounds. The stoichiometric reactivity of (POCN)NiMe and (POCN)Ni(BF) with PhSiH and HBPin suggests that catalytic reactions proceed via the hydride intermediate (POCN)NiH. With regard to reactions with HBPin, efficient and mild hydroboration of a variety of carbonyl compounds, including highly chemoselective hydroboration of benzaldehyde in the presence of other common potent reductive functional groups, such as alkenes, alkynes, esters, amides, nitriles, nitro compounds and even ketones, and the first example of base metal catalyzed hydroboration of amides, including mild direct hydroborative reduction of primary and secondary amides to borylated amines were demonstrated for (POCN)NiMe.

Theoretical Insights into D-D-π-A Sensitizers Employing N-Annulated Perylene for Dye-Sensitized Solar Cells.

This paper reports new D-D-π-A dyes based on N-annulated perylene, emphasizing the enhanced dye-to-semiconductor charge-transfer mechanism. A series of DFT calculations for new tPA-perylene-based dyes was conducted, starting from the systematic selection of DFT methods by reproducing the experimentally obtained properties of known perylene-based sensitizers. Accordingly, using the LC-ωPBE xc functional with 6-31+G(d) basis set for the time-dependent calculations of the excitation energies, a damping parameter of ω = 0.

Dysregulation of YAP by ARF Stimulated with Tea-derived Carbon Nanodots.

YAP is a downstream nuclear transcription factor of Hippo pathway which plays an essential role in development, cell growth, organ size and homeostasis. It was previously identified that elevation of YAP in genomics of genetic engineered mouse (GEM) model of prostate cancer is associated with Pten/Trp53 inactivation and ARF elevation hypothesizing the essential crosstalk of AKT/mTOR/YAP with ARF in prostate cancer. However, the detailed function and trafficking of YAP in cancer cells remains unclear.

Strategic Design of Bacteriochlorins as Possible Dyes for Photovoltaic Applications.

Bacteriochlorin-based dyes, having a push-pull type of configuration similar to that of the YD2 dye, were theoretically designed based on modification of the macrocycle and π-conjugated bridge for use in dye-sensitized solar cells. Various parameters were assessed to determine its structure-property relationships, such as the absorption profile based on time-dependent density functional theory, nonlinear optical properties from (hyper)polarizability data, ground- and excited-state oxidation potentials, and the electronic properties of the free and adsorbed dyes. On the basis of the results, the most appropriate macrocycle would be 7,7,17,17-tetramethyl-7H,8H,17H,18H-porphyrin and, for its π-conjugated bridge, either thieno[3,2-b]thiophene, dithieno[3,2-b:2',3'-d]thiophene, or 4,4-diisopropyl-4H-cyclopenta[2,1-b:3,4-b']dithiophene.

Molecular Engineering of Tetraphenylbenzidine-Based Hole Transport Material for Perovskite Solar Cell.

Experimental and theoretical HOMO energy correlation of tetraphenylbenzidine (TPB)-based hole transport materials (HTMs) was successfully achieved through adiabatic ground-state oxidation potential calculation using LC-ωPBE. Similarly, trends in the computed excitation energies and hole reorganization energies of the HTMs are in agreement with the experimental band gaps and hole mobilities, respectively. Using these established correlations, the calculated properties of novel TPB-based HTMs were analyzed, and among the derivatives, TPB with attached fluorene (Fl) has less absorption in the visible region, a lower hole reorganization energy, and a deeper HOMO level compared to the reference.

Experimental and theoretical analysis of organic dyes having a double D-π-A configurations for dye-sensitized solar cells.

Two spiro-like organic dyes linked at the thiophene bridge (KS-11 and KS-12) together with the original rod-shaped D-π-A configuration (C1) were designed, synthesized, and characterized based on their electronic structure, and determine the photophysical and photovoltaic properties for its application in dye-sensitized solar cells. Compared to C1, the double D-π-A spiro-like configuration, which consists of two separated light-harvesting moieties, was found to be beneficial to photocurrent generation provided that they are separated properly to prevent intramolecular exciton annihilation. This was observed when KS-11, which is linked at the β-position of the thiophene moiety of D-π-A, was compared with KS-12, where the two D-π-A are linked with an additional thiophene using a α-β linkage.

The Photovoltaic Performances of PVdF-HFP Electrospun Membranes Employed Quasi-Solid-State Dye Sensitized Solar Cells.

The PVdF-HFP nanofiber membranes with different molecular weight were prepared by electrospinning technique and were investigated as solid state electrolyte membranes in quasi solid state dye sensitized solar cells (QS-DSSC). The homogeneously distributed and fully interconnected nanofibers were obtained for all of the prepared PVdF-HFP electrospun membranes and the average fiber diameters of fabricated membranes were dependent upon the molecular weight of polymer. The thermal stability of electrospun PVdF-HFP membrane was decreased with a decrement of molecular weight, specifying the high heat transfer area of small diameter nanofibers.

Revisiting the formation of cyclic clusters in liquid ethanol.

The liquid phase of ethanol in pure and in non-polar solvents was studied at room temperature using Fourier transform infrared (FT-IR) and (1)H nuclear magnetic resonance (NMR) spectroscopies together with theoretical approach. The FT-IR spectra for pure ethanol and solution in cyclohexane at different dilution stages are consistent with (1)H NMR results. The results from both methods were best explained by the results of the density functional theory based on a multimeric model.

The Effect of Donor Group Rigidification on the Electronic and Optical Properties of Arylamine-Based Metal-Free Dyes for Dye-Sensitized Solar Cells: A Computational Study.

One of the most significant aspects in the development of dye-sensitized solar cells is the exploration and design of high-efficiency and low-cost dyes. This paper reports the theoretical design of various triphenylamine analogues, wherein the central nitrogen moiety establishes an sp(2)-hybridization, which endows a significant participation in the charge-transfer properties. Density functional theory (DFT) and time-dependent DFT methodologies were utilized to investigate the geometry, electronic structure, photochemical properties, and electrochemical properties of these dyes.