Reusable magnetic mixture of CuFe2O4-Fe2O3 and TiO2 for photocatalytic degradation of pesticides in water.

Photocatalysis is a promising treatment method to remove pollutants from water. TiO2-P25 is a commercially available model photocatalyst, which very efficiently degrades organic pollutants under UVA light exposure. However, the collection and the recovery of TiO2-P25 from cleaned water poses significant difficulties, severely limiting its usability. To address this challenge, we have prepared a sintered mixture of TiO2-P25 nanomaterials and magnetic CuFe2O4-Fe2O3 nanocomposites. The mixture material was shown to contain spinel ferrite, hematite and maghemite structures, copper predominantly in Cu2+ and iron predominantly in Fe3+ state. The CuFe2O4-Fe2O3 and TiO2-P25 mixture demonstrated magnetic collectability from processed water and photocatalytic activity, which was evidenced through the successful photodegradation of the herbicide 2,4-D. Our findings suggest that the sintered mixture of CuFe2O4-Fe2O3 and TiO2-P25 holds a promise for improving photocatalytic water treatment, with the potential to overcome current photocatalyst recovery issues.

Shell-dependent photofragmentation dynamics of a heavy-atom-containing bifunctional nitroimidazole radiosensitizer.

Radiation therapy uses ionizing radiation to break chemical bonds in cancer cells, thereby causing DNA damage and leading to cell death. The therapeutic effectiveness can be further increased by making the tumor cells more sensitive to radiation. Here, we investigate the role of the initial halogen atom core hole on the photofragmentation dynamics of 2-bromo-5-iodo-4-nitroimidazole, a potential bifunctional radiosensitizer. Bromine and iodine atoms were included in the molecule to increase the photoionization cross-section of the radiosensitizer at higher photon energies. The fragmentation dynamics of the molecule was studied experimentally in the gas phase using photoelectron-photoion-photoion coincidence spectroscopy and computationally using Born-Oppenheimer molecular dynamics. We observed significant changes between shallow core (I 4d, Br 3d) and deep core (I 3d) ionization in fragment formation and their kinetic energies. Despite the fact, that the ions ejected after deep core ionization have higher kinetic energies, we show that in a cellular environment, the ion spread is not much larger, keeping the damage well-localized.

Properties of tin oxide films grown by atomic layer deposition from tin tetraiodide and ozone.

Polycrystalline SnO2 thin films were grown by atomic layer deposition (ALD) on SiO2/Si(100) substrates from SnI4 and O3. Suitable evaporation temperatures for the SnI4 precursor as well as the relationship between growth per cycle and substrate temperature were determined. Crystal growth in the films in the temperature range of 225-600 °C was identified. Spectroscopic analyses revealed low amounts of residual iodine and implied the formation of single-phase oxide in the films grown at temperatures above 300 °C. Appropriateness of the mentioned precursor system to the preparation of SnO2 films was established.

Sb2S3 Thin-Film Solar Cells Fabricated from an Antimony Ethyl Xanthate Based Precursor in Air.

The rapidly expanding demand for photovoltaics (PVs) requires stable, quick, and easy to manufacture solar cells based on socioeconomically and ecologically viable earth-abundant resources. Sb2S3 has been a potential candidate for solar PVs and the efficiency of planar Sb2S3 thin-film solar cells has witnessed a reasonable rise from 5.77% in 2014 to 8% in 2022. Herein, the aim is to bring new insight into Sb2S3 solar cell research by investigating how the bulk and surface properties of the Sb2S3 absorber and the current-voltage and deep-level defect characteristics of solar cells based on these films are affected by the ultrasonic spray pyrolysis deposition temperature and the molar ratio of thiourea to SbEX in solution. The properties of the Sb2S3 absorber are characterized by bulk- and surface-sensitive methods. Solar cells are characterized by temperature-dependent current-voltage, external quantum efficiency, and deep-level transient spectroscopy measurements. In this paper, the first thin-film solar cells based on a planar Sb2S3 absorber grown from antimony ethyl xanthate (SbEX) by ultrasonic spray pyrolysis in air are demonstrated. Devices based on the Sb2S3 absorber grown at 200 °C, especially from a solution of thiourea and SbEX in a molar ratio of 4.5, perform the best by virtue of suppressed surface oxidation of Sb2S3, favorable band alignment, Sb-vacancy concentration, a continuous film morphology, and a suitable film thickness of 75 nm, achieving up to 4.1% power conversion efficiency, which is the best efficiency to date for planar Sb2S3 solar cells grown from xanthate-based precursors. Our findings highlight the importance of developing synthesis conditions to achieve the best solar cell device performance for an Sb2S3 absorber layer pertaining to the chosen deposition method, experimental setup, and precursors.

Nanostructures Stacked on Hafnium Oxide Films Interfacing Graphene and Silicon Oxide Layers as Resistive Switching Media.

SiO2 films were grown to thicknesses below 15 nm by ozone-assisted atomic layer deposition. The graphene was a chemical vapor deposited on copper foil and transferred wet-chemically to the SiO2 films. On the top of the graphene layer, either continuous HfO2 or SiO2 films were grown by plasma-assisted atomic layer deposition or by electron beam evaporation, respectively. Micro-Raman spectroscopy confirmed the integrity of the graphene after the deposition processes of both the HfO2 and SiO2. Stacked nanostructures with graphene layers intermediating the SiO2 and either the SiO2 or HfO2 insulator layers were devised as the resistive switching media between the top Ti and bottom TiN electrodes. The behavior of the devices was studied comparatively with and without graphene interlayers. The switching processes were attained in the devices supplied with graphene interlayers, whereas in the media consisting of the SiO2-HfO2 double layers only, the switching effect was not observed. In addition, the endurance characteristics were improved after the insertion of graphene between the wide band gap dielectric layers. Pre-annealing the Si/TiN/SiO2 substrates before transferring the graphene further improved the performance.

Performance and characterization of the FinEstBeAMS beamline at the MAX IV Laboratory.

FinEstBeAMS (Finnish-Estonian Beamline for Atmospheric and Materials Sciences) is a multidisciplinary beamline constructed at the 1.5 GeV storage ring of the MAX IV synchrotron facility in Lund, Sweden. The beamline covers an extremely wide photon energy range, 4.5-1300 eV, by utilizing a single elliptically polarizing undulator as a radiation source and a single grazing-incidence plane grating monochromator to disperse the radiation. At photon energies below 70 eV the beamline operation relies on the use of optical and thin-film filters to remove higher-order components from the monochromated radiation. This paper discusses the performance of the beamline, examining such characteristics as the quality of the gratings, photon energy calibration, photon energy resolution, available photon flux, polarization quality and focal spot size.

Atomic layer deposited nanolaminates of zirconium oxide and manganese oxide from manganese(III)acetylacetonate and ozone.

Atomic layer deposition method was used to grow thin films consisting of ZrO2and MnOxlayers. Magnetic and electric properties were studied of films deposited at 300 °C. Some deposition characteristics of the manganese(III)acetylacetonate and ozone process were investigated, such as the dependence of growth rate on the deposition temperature and film crystallinity. All films were partly crystalline in their as-deposited state. Zirconium oxide contained cubic and tetragonal phases of ZrO2, while the manganese oxide was shown to consist of cubic Mn2O3and tetragonal Mn3O4phases. All the films exhibited nonlinear saturative magnetization with hysteresis, as well as resistive switching characteristics.

Strong, Rapid, and Reversible Photochromic Response of Nb Doped TiO2 Nanocrystal Colloids in Hole Scavenging Media.

Understanding photochromicity is essential for developing new means of modulating the optical properties and optical response of materials. Here, we report on the synthesis and exciting new photochromic behavior of Nb5+ doped TiO2 nanoparticle colloids (NCs). We find that, in hole scavenging media, Nb5+ doping significantly improves the photochromic response time of TiO2 nanoparticles. In the infrared regime, Nb-doped TiO2 NCs exhibit 1 order of magnitude faster photoresponse kinetics than the pristine TiO2. Enhanced photochromic response is observed in the visible light regime as well. The transmittance of Nb-doped TiO2 NCs drops to 10% in less than 2 min when irradiated by UV-light in the 500 nm range. The photochromic reaction is fully reversible. The physical origin of the high reaction rate is the high Nb5+ concentration. As a donor dopant, Nb5+ builds up a significant positive charge in the material, which leads to highly efficient electron accumulation during the UV irradiation and results in a rapid photoresponse. EPR experiments identify a new defect type from Nb5+ doping, which alters the physical mechanisms available for transmittance modulation. Our new NCs are economic to synthesize and highly suitable for switchable photochromic applications, e.g., smart windows for modulating visible light and infrared transmittance in built-environments.

Permanent photodoping of plasmonic gallium-ZnO nanocrystals.

Donor dopants in oxide semiconductors are compensated not only by valuable electrons but also by other point defects, leading to a decrease in electric conductivity and infrared absorption. We demonstrate that the electron compensation mechanism in Ga doped ZnO nanocrystals can be promoted by photodoping. Unexpectedly, the electrons from photodoping are stable in the open air for months.

Visible light to switch-on desorption from goethite.

Switching adsorption-desorption by visible light could provide the possibility for a wide range of applications that require controlled release-on-demand. Here, we demonstrate a visible-light controlled desorption behavior in aqueous suspensions for the first time. We observed cationic dye adsorption on amphoteric goethite α-FeOOH in the dark and release during visible light exposure at a pH value slightly over the isoelectric point of goethite. During this process, the dye does not degrade. Desorption is triggered by local heating due to light absorption in narrow band gap goethite, α-FeOOH.

Density functional simulation of resonant inelastic X-ray scattering experiments in liquids: acetonitrile.

In this paper we report an experimental and computational study of liquid acetonitrile (H3C-C[triple bond, length as m-dash]N) by resonant inelastic X-ray scattering (RIXS) at the N K-edge. The experimental spectra exhibit clear signatures of the electronic structure of the valence states at the N site and incident-beam-polarization dependence is observed as well. Moreover, we find fine structure in the quasielastic line that is assigned to finite scattering duration and nuclear relaxation. We present a simple and light-to-evaluate model for the RIXS maps and analyze the experimental data using this model combined with ab initio molecular dynamics simulations. In addition to polarization-dependence and scattering-duration effects, we pinpoint the effects of different types of chemical bonding to the RIXS spectrum and conclude that the H2C-C[double bond, length as m-dash]NH isomer, suggested in the literature, does not exist in detectable quantities. We study solution effects on the scattering spectra with simulations in liquid and in vacuum. The presented model for RIXS proved to be light enough to allow phase-space-sampling and still accurate enough for identification of transition lines in physical chemistry research by RIXS.