FAIR data - the photon and neutron communities move together towards open science.

The topic of data storage, traceability, and data use and reuse in the years following experiments is becoming an important topic in Europe and across the world. Many scientific communities are striving to create open data by the FAIR principles. This is a requirement from the European Commission for EU-funded projects and experiments at EU-funded research infrastructures (RIs) and from many national funding agencies.

Directing SEI formation on Si-based electrodes using atomic layer deposition.

The design of artificial solid eletroctrolyte interphase is an important task to minimize capacity losses in Li-ion batteries. Herein, TiO created through atomic layer deposition was used as an artificial SEI on Si nanoparticles. Such coating led to substantial improvement of cycling stability when evaluated with FEC-free electrolyte.

Iron and Nickel Substituted Perovskite Cobaltites for Sustainable Oxygen Evolving Anodes in Alkaline Environment.

Perovskite oxides have great flexibility in their elemental composition, which is accompanied by large adjustability in their electronic properties. Herein, we synthesized twelve perovskite oxide-based catalysts for the oxygen evolution reaction (OER) in alkaline media. The catalysts are based on the parent oxide perovskite BaGdLaCoO (BGLC587) and are synthesized through the sol-gel citrate synthesis route.

Instrumental broadening and the radial pair distribution function with 2D detectors.

The atomic pair distribution function (PDF) is a real-space representation of the structure of a material. Experimental PDFs are obtained using a Fourier transform from total scattering data which may or may not have Bragg diffraction peaks. The determination of Bragg peak resolution in scattering data from the fundamental physical parameters of the diffractometer used is well established, but after the Fourier transform from reciprocal to direct space, these contributions are harder to identify.

Design, synthesis and theoretical simulations of novel spiroindane-based enamines as -type semiconductors.

The search for novel classes of hole-transporting materials (HTMs) is a very important task in advancing the commercialization of various photovoltaic devices. Meeting specific requirements, such as charge-carrier mobility, appropriate energy levels and thermal stability, is essential for determining the suitability of an HTM for a given application. In this work, two spirobisindane-based compounds, bearing terminating hole transporting enamine units, were strategically designed and synthesized using commercially available starting materials.

Unraveling the (De)sodiation Mechanisms of BiFeO at a High Rate with XRD.

Development of new anode materials for Na-ion batteries strongly depends on a detailed understanding of their cycling mechanism. Due to instrumental limitations, the majority of mechanistic studies focus on materials' characterization at low cycling rates. In this work, we evaluate and compare the (de)sodiation mechanisms of BiFeO in Na-ion batteries at different current densities using X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS).

Replica exchange molecular dynamics for Li-intercalation in graphite: a new solution for an old problem.

Li intercalation and graphite stacking have been extensively studied because of the importance of graphite in commercial Li-ion batteries. Despite this attention, there are still questions about the atomistic structures of the intermediate states that exist during lithiation, especially when phase dynamics cause a disordered Li distribution. The Li migration event (diffusion coefficient of 10 nm ns) makes it difficult to explore the various Li-intercalation configurations in conventional molecular dynamics (MD) simulations with an affordable simulation timescale.

Lattice distortion-driven band gap engineering and enhanced electrocatalytic activity of Mn-substituted nanostructured SrTiO materials: A comprehensive investigation.

The lattice distortion and electrocatalytic activity are investigated by the mono-substituent of Mn with different concentrations to generate localized states in the electronic structure of SrTiO. The sol-gel approach has been employed to fabricate SrTiO and SrTiMnO nanostructures (NSs). The structural analysis indicates Mn incorporation into Ti sites of SrTiO, which shifts the lattice towards a higher diffraction angle with a single-phase cubic structure.

Investigation of biphenyl enamines for applications as p-type semiconductors.

Due to the ease of synthesis and the ability to easily tune properties, organic semiconductors are widely researched and used in many optoelectronic applications. Requirements such as thermal stability, appropriate energy levels and charge-carrier mobility have to be met in order to consider the suitability of an organic semiconductor for a specific application. Balancing of said properties is not a trivial task; often one characteristic is sacrificed to improve the other and therefore a search for well-balanced materials is necessary.

4.9% Efficient SbS Solar Cells from Semitransparent Absorbers with Fluorene-Based Thiophene-Terminated Hole Conductors.

Fluorene-based hole transport materials (HTMs) with terminating thiophene units are explored, for the first time, for antimony sulfide (SbS) solar cells. These HTMs possess largely simplified synthesis processes and high yields compared to the conventional expensive hole conductors making them reasonably economical. The thiophene unit-linked HTMs have been successfully demonstrated in ultrasonic spray-deposited SbS solar cells resulting in efficiencies in the range of 4.

Intercalation of CO Selected by Type of Interlayer Cation in Dried Synthetic Hectorite.

Clay minerals are abundant in caprock formations for anthropogenic storage sites for CO, and they are potential capture materials for CO postcombustion sequestration. We investigate the response to CO exposure of dried fluorohectorite clay intercalated with Li, Na, Cs, Ca, and Ba. By powder X-ray diffraction, we demonstrate that fluorohectorite with Na, Cs, Ca, or Ba does not swell in response to CO and that Li-fluorohectorite does swell.

Use of Fluorescence Spectroscopy and Chemometrics to Visualise Fluoroquinolones Photodegradation Major Trends: A Confirmation Study with Mass Spectrometry.

In this work, we employed EEM-PARAFAC (fluorescence excitation-emission matrices-parallel factor analysis) as a low-cost tool to study the oxidation pathways of (fluoro)quinolones. Amounts of 12.5 μM of enrofloxacin (ENR), ciprofloxacin (CIP), ofloxacin (OFL), oxolinic acid (OA), and flumequine (FLU), as individual solutions, were irradiated under UVA light.

Investigating the effectiveness of a HyFlex cyber security training in a developing country: A case study.

HyFlex termed as hybrid-flexibility is a teaching approach where teachers and students have the alternative to participate in planned courses either remotely or face-to-face. This study examines the effectiveness of the HyFlex pedagogical method to teach highly interactive digital and face-to-face cyber security training in Nigeria amidst the pandemic. Data was collected using a survey questionnaire from 113 participants to evaluate student's perception towards the effectiveness of the Hyflex method using physical and Zoom teleconferencing which allow students to participate remotely in the cyber security training.

Operando XRD studies on BiMoOas anode material for Na-ion batteries.

Based on the same rocking-chair principle as rechargeable Li-ion batteries, Na-ion batteries are promising solutions for energy storage benefiting from low-cost materials comprised of abundant elements. However, despite the mechanistic similarities, Na-ion batteries require a different set of active materials than Li-ion batteries. Bismuth molybdate (BiMoO) is a promising NIB anode material operating through a combined conversion/alloying mechanism.

High Performance Predictable Quantum Efficient Detector Based on Induced-Junction Photodiodes Passivated with SiO/SiN.

We performed a systematic study involving simulation and experimental techniques to develop induced-junction silicon photodetectors passivated with thermally grown SiO and plasma-enhanced chemical vapor deposited (PECVD) SiN thin films that show a record high quantum efficiency. We investigated PECVD SiN passivation and optimized the film deposition conditions to minimize the recombination losses at the silicon-dielectric interface as well as optical losses. Depositions with varied process parameters were carried out on test samples, followed by measurements of minority carrier lifetime, fixed charge density, and optical absorbance and reflectance.

CO Adsorption Enhanced by Tuning the Layer Charge in a Clay Mineral.

Due to the compact two-dimensional interlayer pore space and the high density of interlayer molecular adsorption sites, clay minerals are competitive adsorption materials for carbon dioxide capture. We demonstrate that with a decreasing interlayer surface charge in a clay mineral, the adsorption capacity for CO increases, while the pressure threshold for adsorption and swelling in response to CO decreases. Synthetic nickel-exchanged fluorohectorite was investigated with three different layer charges varying from 0.

New insights into submarine tailing disposal for a reduced environmental footprint: Lessons learnt from Norwegian fjords.

Submarine tailing disposal (STD) in fjords from land-based mines is common practice in Norway and takes place in other regions worldwide. We synthesize the results of a multidisciplinary programme on environmental impacts of STDs in Norwegian fjords, providing new knowledge that can be applied to assess and mitigate impact of tailing disposal globally, both for submarine and deep-sea activities. Detailed geological seafloor mapping provided data on natural sedimentation to monitor depositional processes on the seafloor.

A Rational Analysis on Key Parameters Ruling Zerovalent Iron-Based Treatment Trains: Towards the Separation of Reductive from Oxidative Phases.

The development of treatment trains for pollutant degradation employing zerovalent iron has been attracting a lot of interest in the last few years. This approach consists of pre-treatment only with zerovalent iron, followed by a Fenton oxidation taking advantage of the iron ions released in the first step. In this work, the advantages/disadvantages of this strategy were studied employing commercial zerovalent iron microparticles (mZVI).

Surface Treatment of Industrial-Grade Magnetite Particles for Enhanced Thermal Stability and Mitigating Paint Contaminants.

Pigments can retain their color for many centuries and can withstand the effects of light and weather. The paint industry suffers from issues like aggressive moisture, corrosion, and further environmental contamination of the pigment materials. Low-cost, long-lasting, and large-scale pigments are highly desirable to protect against the challenges of contamination that exist in the paint industry.

Emulsions in external electric fields.

Water is co-produced with crude oils, generally in the form of water-in-crude oil emulsions. The oil and water phases need to be separated before export. Separation is performed in gravity separators with the addition of chemical demulsifiers and, sometimes, with the application of an electric field by using an electrocoalescer.

Microdosimetry modeling with auger emitters in generalized cell geometry.

A microdosimetry model was developed for the prediction of cell viability for irregular non-spherical cells that were irradiated by low energy, short range auger electrons. Measured cell survival rates for LNCaP prostate cancer were compared to the computational results for the radioisotopesLu andTb (conjugated to PSMA). The cell geometries used for the computations were derived directly from the cell culture images.

Double Perovskite Cobaltites Integrated in a Monolithic and Noble Metal-Free Photoelectrochemical Device for Efficient Water Splitting.

Water photoelectrolysis has the potential to produce renewable hydrogen fuel, therefore addressing the intermittent nature of sunlight. Herein, a monolithic, photovoltaic (PV)-assisted water electrolysis device of minimal engineering and of low (in the μg range) noble-metal-free catalysts loading is presented for unassisted water splitting in alkaline media. An efficient double perovskite cobaltite catalyst, originally developed for high-temperature proton-conducting ceramic electrolyzers, possesses high activity for the oxygen evolution reaction in alkaline media at room temperatures too.