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Search results for: DIMER LI2
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Highly crystalline colloidal nickel oxide hole transport layer for low-temperature processable perovskite solar cell
PublicationHighly crystalline NiOX usually requires high annealing temperature (>300 °C) which is incompatible with flexible substrate and might consume high amount of energy. Herein, we demonstrate a facile emulsion process to synthesize highly crystalline, low temperature deposition (<150 °C) and solution processable NiOx nanoparticles (NPs) as a hole transport layer for the perovskite solar cells (PVSCs). A novel surfactant of tetramethylammonium...
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Hybrid electrode materials for fast performance devices
PublicationEnergy storage devices such as Electrochemical Double Layer Capacitors and other types of the electrochemical capacitors require chemically stable, non-soluble, electrochemically active electrode materials compatible with appropriate electrolytes. Factors which determine their applicability are derived from so called electrochemical window of electroltes, nature of charge accumulation and their kinetics. On the other hand technological...
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Structural phase transitions in multicomponent La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) oxides
PublicationIn this work, the influence of compositional complexity on the structural and thermal properties of multicomponent rare-earth ortho-niobates from the La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) series have been investigated. Based on X-ray powder diffraction studies using synchrotron radiation, it was found that all tested materials were pure single-phase compositions and showed stability in the monoclinic I2/c crystal...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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A Series of Novel 3D Coordination Polymers Based on the Quinoline-2,4-dicarboxylate Building Block and Lanthanide(III) Ions—Temperature Dependence Investigations
PublicationA series of novel 3D coordination polymers [Ln2(Qdca)3(H2O)x]yH2O (x = 3 or 4, y = 0–4) assembled from selected lanthanide ions (Ln(III) = Nd, Eu, Tb, and Er) and a non-explored quinoline- 2,4-dicarboxylate building block (Qdca2 = C11H5NO4 2) were prepared under hydrothermal conditions at temperatures of 100, 120, and 150 C. Generally, an increase in synthesis temperature resulted in structural transformations and the formation...
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Removal of diphenols using pine biochar. Kinetics, equilibrium, thermodynamics, and mechanism of uptake
PublicationThermal pyrolysis synthesized activated biochar from the Pinus elliottii sawdust (PS) at 600° C. The obtained activated biochar (PB600) was used for the removal of three diphenols, catechol (CAT), resorcinol (RES), and hydroquinone (HYD), which are utilized mainly in different industries. The PB600 was characterized by several analytical techniques. The BET surface area of 1473 m2.g−1 and a total pore volume of 0.707 cm3 g−1 was...
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Implementacja płaszczyzny danych i płaszczyzny sterowania dla Równoległego Internetu IPv6 QoS
PublicationW artykule przedstawiono aspekty związane z implementacją węzłów Równoległego Internetu (RI) IPv6 QoS na platformach umożliwiających wirtualizację. RI IPv6 QoS jest oparty na architekturze DiffServ i NGN. Zgodnie z architekturą DiffServ, w sieci IP wyróżniamy węzły brzegowe oraz szkieletowe, które wyposażone są w mechanizmy Quality of Service (QoS) wspierające gwarancje QoS dla przekazu pakie¬tów w sieci. Implementacja węzłów IPv6...
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Contaminants in airport runoff water in the Vicinities of Two International Airports in Poland
PublicationThe general aim of the study was to evaluate environmental quality associated with the operations (combustion of fuels, cleaning of aircraft and airport aprons, aircraft, ground vehicle maintenance and repairs, fuelling operations, de/anti-icing operations) of international airports located in central and northern of Poland. These two monitoring areas were set up to monitor PAHs, PCBs, formaldehydes, phenols, detergents (cationic,...
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Effect of Simultaneous Valve Closures in Hydraulic Piping Systems
PublicationThe paper investigates wave interference (between pressure waves) occurring in simple hydraulic systems. Water hammer was induced by simultaneous closure of three valves located at the reservoirs of a “Y” type hydraulic system. Numerical simulations were carried out with the help of the freeware computer package Allievi enabling the reader to replicate results in a direct manner. The influence of the following quantities has been...
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Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si
PublicationWe report superconductivity in the full Heusler compound LiPd2Si (space group Fm3̅m, No. 225) at a critical temperature of Tc = 1.3 K and a normalized heat capacity jump at Tc, ΔC/γTc = 1.1. The low-temperature isothermal magnetization curves imply type-I superconductivity, as previously observed in LiPd2Ge. We show, based on density functional theory calculations and using the molecular orbital theory approach, that while LiPd2Si...
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Selective Synthesis of Magnetite Nanospheres with Controllable Morphologies on CNTs and Application to Lithium‐Ion Batteries
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K-ras gene mutation as an early prognostic marker of colon cancer
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Critical factors for the performance of chip array-based electrical detection of DNA for analysis of pathogenic bacteria
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Confirmative electric DNA array-based test for food poisoning Bacillus cereus
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The correlation-bound anion of p-chloroaniline
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A Low-Profile Metal-backed Dipole Loaded with Closely Coupled Arc-shaped Open Stubs for On-metal Tag Design with Wide Frequency Tuning Capability
PublicationThis research has presented a single-layer metal-backed dipole antenna, which consists of a feedline loaded with two pairs of closely-coupled arc-shaped open stubs, for designing a metal-mountable tag that features tuning capability over a wide range of frequency. Here, the stubs can generate sufficient inductive reactance for bringing down the tag resonant frequency tunable in both the regulated UHF RFID passbands (North American...
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Effects of Ca2+, Mg2+, Na+, and K+ substitutions on the microstructure and electrical properties of GdCoO3 ceramics
PublicationGdCoO3-δ, Gd0.975Na0.025CoO3-δ, Gd0.98K0.02CoO3-δ, Gd0.98Ca0.02CoO3-δ, and GdCo0.99Mg0.01O3-δ ceramics were prepared via a solid-state reaction route. Among the dopants studied, substitution with Ca2+ slightly enhanced the densfication of GdCoO3 ceramics. All the lattice parameters of the doped ceramics were larger than those of pure GdCoO3-δ ceramic (a = 5.223 Å, b = 5.389 Å and c = 7.451 Å), and their cell volumes increased by...
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Dibutyl phthalate disrupts conserved circadian rhythm in Drosophila and human cells
PublicationPeople are constantly exposed to phthalates, due to their common use in the production of plastics, pharmaceuticals, cosmetics and skin care products. The ability of phthalates to disrupt endocrine signaling, leading to developmental, reproductive and metabolic defects, has been studied, yet how phthalates interfere with these biological functions is still unclear. To uncover DBP interacting molecular pathways, we raised Drosophila...
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Identification of synergistic and antagonistic actions of environmental pollutants: Bisphenols A, S and F in the presence of DEP, DBP, BADGE and BADGE·2HCl in three component mixtures
PublicationEcosystems are facing increased pressure due to the emission of many classes of emerging contaminants. However, very little is known about the interactions of these pollutants, such as bisphenols (BPs), plasticizers or pharmaceuticals. By employing bioluminescent bacteria (Microtox assay), we were able to define interactions between selected emerging pollutants (namely BPA, BPS, BPF, BADGE, BADGE·2HCl, DEP, DBP) in ternary mixtures, at...
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Enhanced Toxicity of Bisphenols Together with UV Filters in Water: Identification of Synergy and Antagonism in Three-Component Mixtures
PublicationContaminants of emerging concern (CEC) localize in the biome in variable combinations of complex mixtures that are often environmentally persistent, bioaccumulate and biomagnify, prompting a need for extensive monitoring. Many cosmetics include UV filters that are listed as CECs, such as benzophenone derivatives (oxybenzone, OXYB), cinnamates (2-ethylhexyl 4-methoxycinnamate, EMC) and camphor derivatives (4-methylbenzylidene-camphor,...
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The potential interaction of environmental pollutants and circadian rhythm regulations that may cause leukemia
PublicationTumor suppressor genes are highly affected during the development of leukemia, including circadian clock genes. Circadian rhythms constitute an evolutionary molecular machinery involving many genes, such as BMAL1, CLOCK, CRY1, CRY2, PER1, PER2, REV-ERBa, and RORA, for tracking time and optimizing daily life during day-night cycles and seasonal changes. For circulating blood cells many of these genes coordinate their proliferation,...
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublicationThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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Nanodiamonds Doped with Manganese for Applications in Magnetic Resonance Imaging
PublicationNanodiamonds (NDs) are emerging with great potential in biomedical applications like biomarking through fluorescence and magnetic resonance imaging (MRI), targeted drug delivery, and cancer therapy. The magnetic and optical properties of NDs could be tuned by selective doping. Therefore, we report multifunctional manganese-incorporated NDs (Mn-NDs) fabricated by Mn ion implantation. The fluorescent properties of Mn-NDs were tuned...
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High-Performance NaK2Li[Li3SiO4]4:Eu Green Phosphor for Backlighting Light-Emitting Diodes
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Interventions reducing car usage: Systematic review and meta-analysis
PublicationThis systematic literature review aimed to investigate the extent to which transport-related interventions induced a reduction in car use. Both qualitative synthesis and meta-analysis were employed. The synthesis included 31 original studies, while the meta-analysis included 21. Of the qualitatively synthesised studies, 74 % demonstrated that interventions were effective in reducing car use. The pooled estimates of the effects...
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Influence of alkali metal cations on the photoactivity of crystalline and exfoliated amorphous WO3 – photointercalation phenomenon
PublicationIn order to investigate the effect of photointercalation on photoelectrochemical properties, two types of WO3-based photoanodes, bulk and exfoliated have been prepared and investigated. An aqueous exfoliation method is introduced for the simple fabrication of amorphous and hydrated WO3 nanomaterial using commercial bulk WO3 precursor. The comparison of obtained material with bulk WO3 was performed using Raman, UV–vis, and XPS as...
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Electronic structure and rovibrational predissociation of the 2^1Π state in KLi
PublicationAdiabatic potential energy curves of the 3^1Σ^+, 3^3Σ^+, 2^1Π and 2^3Π states correlating for large internuclear distance with the K(4s) + Li(2p) atomic asymptote were calculated. Very good agreement between the calculated and the experimental curve of the 2^1Π state allowed for a reliable description of the dissociation process through a small (∼20 cm−1 for J = 0) potential energy barrier. The barrier supports several rovibrational...
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Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization
PublicationFour new complexes of copper(II) consisting of two different chromone derivatives with carbonyl and amine donor atoms: 7-aminoflavone (L1) and 7-amino-2-methylchromone (L2), were synthesized and characterized by X-ray diffraction, UV–Vis, FT-IR, EPR spectroscopy, MS and elemental analysis. In all four compounds, the chromone derivatives were found to act as monodentate O- or N-ligands. The structural characteristics of 1a and...
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The influence of photointercalaction and photochromism effects on the photocatalytic properties of electrochemically obtained maze-like MoO3 microstructures
PublicationMolybdenum oxide (α-MoO3) thin films with oriented crystalline facets were synthesised by anodization of Mo foils. The obtained samples were exposed to UV–Vis illumination in aqueous electrolytes providing different cations. The morphology and structure of modified samples were investigated. The effect of photointercalated alkali metal cations (Li+, Na+, K+) on optical and structural properties was studied using UV–vis and Raman...
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Surface-Protected High-Efficiency Nanophosphors via Space-Limited Ship-in-a-Bottle Synthesis for Broadband Near-Infrared Mini-Light-Emitting Diodes
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Disentangling Red Emission and Compensatory Defects in Sr[LiAl3N4]:Ce3+ Phosphor
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Application of ionic liquid-based microwave-assisted extraction of malachite green and crystal violet from water samples
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Influence of mobilized RAP content on the effective binder quality and performance of 100% hot in-place recycled asphalt mixtures
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Correction: New insights into the role of lattice oxygen in the catalytic carbonization of polypropylene into high value-added carbon nanomaterials
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High yield conversion of biowaste coffee grounds into hierarchical porous carbon for superior capacitive energy storage
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Striking influence of NiO catalyst diameter on the carbonization of polypropylene into carbon nanomaterials and their high performance in the adsorption of oils
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One-pot synthesis of core/shell Co@C spheres by catalytic carbonization of mixed plastics and their application in the photo-degradation of Congo red
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Upcycling Waste Polypropylene into Graphene Flakes on Organically Modified Montmorillonite
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Na3PO4 assistant dispersion of nano-CaCO3 template to enhance electrochemical interface: N/O/P co-doped porous carbon hybrids towards high-performance flexible supercapacitors
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Transforming polystyrene waste into 3D hierarchically porous carbon for high-performance supercapacitors
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Beaded structured CNTs-Fe3O4@C with low Fe3O4 content as anode materials with extra enhanced performances in lithium ion batteries
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Creation of mesopores in carbon nanotubes with improved capacities for lithium ion batteries
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A facile approach to prepare porous cup-stacked carbon nanotube with high performance in adsorption of methylene blue
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New insights into the role of lattice oxygen in the catalytic carbonization of polypropylene into high value-added carbon nanomaterials
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Graphene-based materials for capacitive deionization
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Converting mixed plastics into mesoporous hollow carbon spheres with controllable diameter
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Converting real-world mixed waste plastics into porous carbon nanosheets with excellent performance in the adsorption of an organic dye from wastewater
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Adhesion of AlCrN coating deposited on TiB2/Ti composites sintered by SPS dedicated for high temperature tribological applications
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Valuable polar moieties on cereal-derived biochars
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Vibrational Sum-Frequency Generation Activity of a 2,4-Dinitrophenyl Phospholipid Hybrid Bilayer: Retrieving Orientational Parameters from a DFT Analysis of Experimental Data
PublicationThe vibrational nonlinear activity of films of 2,4-dinitrophenyl phospholipid (DNP) at the solid interface is measured by sum-frequency generation spectroscopy (SFG). Hybrid bilayers are formed by a LangmuirSchaefer approach in which the lipid layer is physisorbed on top of a self-assembled monolayer of dodecanethiol on Pt with the polar heads pointing out from the surface. The SFG response is investigated in two vibrational frequency...