cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-2297671419
title: Grazing incidence X-ray diffraction studies of ferroelectric ScAlN thin films

description: In principle, the intrinsic dipole nature of wurtzite III-nitrides (GaN, AlN, InN) should allow polarity inversion by an external electric field. However, due to the giant
switching energy barrier such behavior has never been achieved (until very recently for AlN). Theoretically predicted 20 years ago, the incorporation of scandium
atoms into AlN induces a distortion of the wurtzite structure that flattens the energy landscape and thus enables ferroelectric polarization switching. The first
experimental evidence of ferroelectricity in ScAlN was reported in 2019. While sputtering is largely used to elaborate ScAlN films, its epitaxial growth is still
limited. The ¿perfect¿ epitaxial growth is limited to the thickness of about 15 nm followed by a columnar-like growth. The goal is to explore the strain, strain
gradients, and grain sizes in ScAlN thin films via Williamson-Hall analysis by performing specular XRD and grazing incidence X-ray diffraction.
DOI: 10.15151/esrf-es-2297671464
title: In Situ XAS Investigation of CO2 Electroreduction Catalysts for Long-Chain Hydrocarbon Production

description: This project aims to combine in situ X-ray absorption spectroscopy (XAS) to probe the electronic structure evolution of metal-based catalysts used for CO2 electroreduction to long-chain hydrocarbons, which remains largely unexplored. Understanding active sites' structure and oxidation state under operating conditions is essential for elucidating C-C coupling mechanisms. The unique capabilities of SNBL BM31 allow simultaneous monitoring of key catalytic components under electrochemical environments, providing crucial insights into the role of electronic structure dynamics in enhancing long-chain hydrocarbon selectivity. These findings may open new avenues in CO2 electroreduction, offering a novel strategy for sustainable long-chain hydrocarbon production.
DOI: 10.15151/esrf-es-2297671546
title: Studying distribution of magnetic nanoparticles in polymeric nanoparticles to optimize magnetic properties and controlled release of drugs.

description: Iron oxide nanoparticles (IONPs) have gained significant attention in biomedical applications ranging from diagnostics to therapeutics such as in magnetic hyperthermia, magnetic particle imaging, targeted delivery of active agents extending to more recent and innovative applications of nanowarming. IONPs have reduced stability in vivo, and therefore, are often covered with a biocompatible polymer such as poly(lactic-co-glycolic acid) (PLGA), to improve their biological applicability and chemical stability using flash nanoprecipitation, a rapid and scalable route. However, the formation mechanism to encapsulate highly magnetic IONPs is not well understood, and no 3D internal imaging of such particles have been done. It is crucial to understand the development of the polymer coating over the IONPs. We propose to conduct coherent X-ray diffraction imaging (CXDI) measurement at the ID10 beamline to decipher the internal core-shell structure of these particles.
DOI: 10.15151/esrf-es-2297671562
title: Simultaneously measuring the effect of Antimicrobial Peptides on Ion Conduction and Structure of Model Membranes with TR-SAXS

description: Antimicrobial peptides (AMPs) are promising antibiotic candidates, acting primarily on bacterial membranes. While their mode of action remains debated, transmembrane pore formation is often suggested. In a recent preprint, we demonstrated that AMPs permeabilize membranes via transient aqueous pores rather than stable structural pores, likely due to increased lipid flip-flop rates. Time-resolved SAXS (TR-SAXS) experiments at ID02 showed rapid ion equilibration across lipid membranes within tens of milliseconds (Fig. 1E, 1F). Building on this, we aim to investigate different salts (K+, Br-, Mg2+, Ca2+) and peptide:lipid ratios to develop a general permeabilization model. With strong preliminary data and established analytical models, we propose further TR-SAXS experiments to refine our understanding of AMP-induced permeabilization, advancing their potential as novel antibiotics.
DOI: 10.15151/esrf-es-2297671647
title: Developing a treatment process for metal-containing waste streams using aqueous ionic liquids

description: The recovery of metals in waste streams has been identified as a critical area of importance for addressing increasing water scarcity and promoting a circular economy. Aqueous ionic liquids (ILs) offer a promising alternative to toxic traditional solvents for extracting valuable metals from wastewater. Whilst ILs are often noted for their green credentials, a deeper understanding of their interactions with metals is essential for optimising their application in metal extraction processes. Previous NEXAFS studies have focused on demonstrating the of bonding structures of ILs in aqueous solution, as well as exploring IL-metal interactions through the addition of metal salts. In the lab, we have considered two extensions to this work. Firstly, the use of pure metals, in the form of wire or foil. Secondly, the use of alloys. As such, this proposal builds on the previously reported work to develop a methodology and successfully study waste metal extraction in aqueous solutions of ILs.
DOI: 10.15151/esrf-es-2297672059
title: High-Pressure Investigation of the Phase Diagram of the C-N-Alkali Metal Systems

description: Ternary carbon nitrides systems are especially attractive, not only as they are terra incognita under extreme conditions and thus of fundamental interest, but also because they provide a means to functionalize the very robust networks resulting from corner-sharing CN4 units for the design of novel materials (meta)stable to ambient conditions. In particular, a CN4-based framework with large pores would be of significant interest in the context of battery anodes, enabling improved charge storage, fast ion transport and low volume expansion. In this context, the study of the Li-, Na-, and K-C-N systems, in which the alkali cations could help trigger the formation of the CN4 network at lower pressures and then be removed easily at ambient conditions. This study therefore aims to investigate the Li-, Na-, and K-C-N systems up to 125 GPa in laser-heated diamond anvil cells, characterizing the resulting polycrystallites with single-crystal X-ray diffraction methodology.
DOI: 10.5281/zenodo.18350217
title: CROCUS_WP4_UOULU_Surveys of citizens_23-01-2026

description: Questionnaire aimed at citizens in the Finnish/Swedish border regions in Torne Valley (WP4-1).
DOI: 10.5281/zenodo.18350218
title: CROCUS_WP4_UOULU_Surveys of citizens_23-01-2026

description: Questionnaire aimed at citizens in the Finnish/Swedish border regions in Torne Valley (WP4-1).
DOI: 10.15151/esrf-es-2297672133
title: In vivo detection of nitrogenase cofactor synthesis intermediates

description: Engineering nitrogen fixation in crops is an essential step towards reducing the overuse of expensive and polluting nitrogen fertilizers. While substantial efforts have been done towards transferring many of the proteins involved in nitrogenase synthesis, information on how they collaborate to synthesize nitrogenase cofactors in planta is lagging. This is due to to cofactor synthesis intermediates not having any enzymatic activity to trace in vitro. As an alternative, we propose to take advantage of ID21 imaging and Fe and S near-edge spectroscopy capabilitiesto detect in vivo the signature of some of the unique intermediate cofactors synthesized. In a first step, we will detect these molecules in a model nitrogen fixing bacteria and in mutants where these intermediates accumulate, and then, we will attempt to detect them in a simple eukaryote that already expresses some of these components.
DOI: 10.15151/esrf-es-2298272312
title: Understanding the structure-response of Si-rich solid-state batteries under different stress fields

description: Solid-state batteries (SSBs) with silicon (Si) anodes offer improved safety and energy density but are significantly limited by structural changes during cycling. To maintain materials contact and structural integrity, biaxial compressive stress is usually applied to batteries formed in a cylindrical housing. The correlation between electrochemical performance, structural characteristics such as cracking patterns, and applied stress have been well established. Here, we introduce a novel funnel-shaped battery housing that induces an additional radial force, enabling a comprehensive investigation of multi-axial stress effects on battery structures. Leveraging X-ray microtomography, we will examine microstructural evolution in heterogeneous Si-rich SSBs beyond the biaxial stress framework. This research will be the first experimental study of Si SSBs under multi-axial stress, providing critical insights into structural responses and serving as a benchmark for improved battery design.
DOI: 10.15151/esrf-es-2312868923
title: Enhancing Stability and Efficiency in Organic Thermoelectrics via a Dicationic Dopant: Structural Insights from TAB–2TFSI

description: Organic thermoelectric materials promise sustainable energy harvesting for applications like wearable electronics, but are hampered by poor doping efficiency and stability. We investigate a dicationic p-type dopant, TAB–2TFSI, which demonstrates high oxidative potential, ambient and thermal robustness, and excellent doping efficiency across diverse conjugated polymers. We hypothesize that this arises from a division of function between TAB²⁺ (electron acceptor) and TFSI⁻ (ionic compensator), enabling enhanced structural and thermal stability. To probe this mechanism, we propose a systematic GIWAXS study on four thermoelectric polymers doped with TAB–2TFSI under varying concentrations and annealing conditions. We will analyze π–π stacking distances, lamellar spacing, and crystalline coherence lengths to determine how doping alters polymer morphology. These insights will guide the rational design of next-generation dopants for high-performance, stable OTE devices.
DOI: 10.15151/esrf-es-2295871217
title: Density and local structure of volatiles-bearing silicate glasses up to 135 GPa

description: Understanding the effect of volatiles elements, such as C-H-O and N, on the physico-chemical properties of the Earth's interior is crucial to constrain the Earth at its formation, 4.5 Gyrs ago. While a vast amount of these volatiles are still stored in the deep Earth (~3000 km), the exact location remains highly debated and has been suggested to be the Earth’s core, the D’’ layer or the Earth’s lower mantle. These elements drastically changes the physico-chemical properties of minerals, rocks and melts in the deep Earth. 
Thanks to the unique capabilities of ID27 High Pressure beamline (Multichannel collimator and high brilliance pink beam), our group would like to measure precise structure factor of CO2-bearing silicate glasses, analogue to melt compositions, up to 135 GPa, to understand the effect of these volatiles on the density and local structure of glass. This dataset will be finally compared with recent XRD data of (Mg,Fe)SiO3 glass previously obtained on ID27.
DOI: 10.15151/esrf-es-2297576892
title: Crystal orientation effects on irregular vs. regular growth patterns in faceted/nonfaceted eutectics

description: The composite growth dynamics, in particular the transformation from irregular to regular patterns, in eutectic alloys that solidify by involving a faceted (f) and a nonfaceted (nf) solids is poorly understood. It is suspected, but not demonstrated, that the process depends on changes in the interfacial kinetics of facets when control parameters (growth rate, composition, …) are varied, and on crystal orientation. Indeed, the interplay between diffusion controlled growth and crystallographic mechanisms (e.g. micro-twinning) remains obscure. For significant progress, f/nf eutectic microstructures of known solidification history must be inspected in terms of morphology and crystallography. We will explore thin (10 µm) Al-Al3Ni and Al-Si films with typical microstructures generated beforehand by in situ directional solidification. Crystallographic mapping of representative areas will be done by non-destructive Laue micro-diffraction measurements through a sapphire substrate.
DOI: 10.15151/esrf-es-2297576913
title: Ba structural state in coral skeletons - Wavelength Dispersive Diffraction to obtain Ba L-XAFS

description: This project will identify the structural state of Ba in coral aragonite. Skeletal Ba/Ca in coral skeletons tracks seawater Ba/Ca to reconstruct oceanic upwelling events and freshwater discharge. This approach assumes skeletal Ba is hosted in aragonite (by substitution for Ca) whereas coral skeletons are nanocomposites with organic and mineral components, and it is unclear how Ba is distributed between them. We will determine Ba structural state in coral skeletons including those from modern reefs, those cultured in the laboratory under controlled conditions and material from fossil reefs spanning a range of ages. We will analyse powdered coral skeletons using wavelength dispersive crystal diffractometer to isolate the Ba x-rays. We will acquire Ba L2- and L3-XANES and explore the potential for L3-EXAFS. We will resolve if Ba substitutes for Ca in coral aragonite, providing support for the analysis of fossil skeletons as proxies of seawater Ba/Ca.
DOI: 10.15151/esrf-es-2297576946
title: 3D nanoscale characterization of disease induced mineralization abnormalities in teeth using Texture tomography

description: Teeth are designed to resist extreme physical and chemical conditions, but they cannot reform and are unable to heal degradation such as caries. Their integrity and exceptional mechanical properties rely on their complex underlying nanostructure within different anatomical regions, but the local organization of these regions and how this is affected by mineralization pathologies are not yet fully understood. This is partly due to the difficulties of studying the smaller length scales of the tooth in 3D. To this end, we propose to use Texture tomography (TexTOM) to study healthy and abnormal teeth from children to understand the link between tooth nanostructure, hypomineralization and caries susceptibility.
DOI: 10.15151/esrf-es-2297577012
title: Observation and Modeling of (V)HCF Crack Initiation in Cast Nickel-base Superalloys for Aerospace Application

description: Crack initiation is a pressing problem in engineering application, which is currently accounted for in design with large safety factors due to the very large scatter it introduces in the lifetime of parts, especially when loaded in the (V)HCF regime. With our work we want to extend the understanding and modeling capabilities regarding this phenomenon. Using diffraction contrast tomography (DCT) the 3D grain structure of 5 specimens should be observed, while the casting porosity will be found via phase diffraction tomography. Afterwards, the specimens will be incrementally cycled and crack initiation will be detected using phase diffraction tomography. The collected data will be used to create a 1:1 virtual representation of each specimen on the grain scale. Crystal plasticity modeling and fatigue indicator parameters shell then be used to model the crack initiation process and compare the results with the experiment.
DOI: 10.15151/esrf-es-2297577014
title: The plastic-soil interface: Unveiling nanoplastic formation and its role in metal(loid) transport in contaminated soils

description: Plastic contamination is found in every Earth’s compartments including soils. While the alteration of plastics into nanoplastics has been extensively studied in marine environment, the occurrence of nanoplastics in soil systems has been overlooked. Addressing the issue of plastic degradation and nanoplastic occurrence in soils is primordial given their intrinsic toxicity and the ability of toxic metal(loid)s to bind nanoplastics with associated potential environmental hazards. In this proposal, we will study for the first time undisturbed plastics in soils which aged under environmental conditions. Using nanoscale X-ray fluorescence at ID16B beamline, we seek to (1) characterize the nanoplastics that were released from plastic fragments during weathering in soils; and (2) identify the nanominerals found at plastic interface and deduce how they could govern metal(loid)s mobility in soils.
DOI: 10.15151/esrf-es-2297577070
title: Understanding Ni-hydroxyapatites reactivity in CO2 methanation by operando XAS

description: Hydroxyapatites (Ca10(PO4)6(OH)2, HAp) are versatile materials that can be easily functionalized by substituting Ca2+ with metal ions of the same charge and similar ionic radius. The substitution of the Ca2+ by Ni2+ ions is particularly interesting, due to the versatility of Ni in many different applicative fields, including heterogeneous catalysis. Driven by encouraging laboratory results, we propose to study, by combined operando XAS and PXRD, Ni-HAp with different Ni loading during the CO2 methanation reaction. The experiment will clarify the changes in Ni speciation during the reaction and offer a molecular-level understanding of the mechanism behind Ni nanoparticle formation during catalyst pre-treatment in H₂.
DOI: 10.15151/esrf-es-2296888253
title: Operando XAFS investigation of a Pd single-atom catalyst showing for the first time switchable reactivity

description: This proposal aims to elucidate the environment-dependent mechanism of a novel Pd single atom catalyst (SAC), whose dynamic and switchable reactivity we have observed for the very first time in the field, during thermocatalytic Miyaura borylation of aryl halides and Suzuki coupling. Using operando quick XANES and EXAFS, we will investigate how the catalyst undergoes real-time changes in oxidation state, coordination environment, and geometry in response to variations in the chemical environment, specifically the strength of the base. The findings will enable us to shed light into the tunability of SACs and the pivotal role of the chemical
environment in modulating their activity.
DOI: 10.15151/esrf-es-2296888396
title: Operando PDF studies of hard carbon-based materials in Na-ion batteries

description: Hard carbon (HC) materials are the current state-of-the-art anodes for Na-ion batteries (NIBs); however, their operating mechanism(s) are still debated in the literature.1 The functionality of HCs strongly depend on the methods used for their preparation. We plan to study the interaction of Na-ions with several HC materials by operando PDF.
DOI: 10.15151/esrf-es-2306847142
title: Probing the superheating of high pressure bcc phases at different decompression rates

description: We aim to assess the extent of over-decompression of ice VII as a function of the decompression rate at higher temperatures (above the metastability domain of ice VI) using a dynamic diamond anvil cell combined with time resolved X-ray diffraction on ID09, in order to directly probe the shift of the ice VII–liquid transition with decompression rate. This will help elucidate the underlying mechanisms of ice VII superheating. A similar study will be performed on the melting shift of bcc bismuth, a model system for investigating dynamical (de)compression effects on the phase diagram of metals
DOI: 10.15468/dl.a5jyu2
title: Occurrence Download

description: A dataset containing 224519 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Aporrectodea, Dendrobaena, Alboglossiphonia, Glossiphonia, Helobdella, Torix, Piscicola)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 224519 records from 595 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011804-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15151/esrf-es-2295870876
title: Spectro-BCDI of Pt(Pd) alloys during CO2 hydrogenation

description: Converting carbon dioxide CO2 to value-added chemicals via gas phase catalysis represents a key scientific and technological approach to mitigating CO2 emissions. Palladium (Pd) and platinum (Pt) are widely used in catalytic hydrogenation processes owing to their activity. Here, we propose to use spectroscopic Bragg Coherent X-ray Diffraction Imaging (spectro-BCDI), a state-of-the-art characterization tool, to correlate both the structural (lattice strain, defects, facets, and morphology) and chemical (composition and oxidation states) characteristics of Pd and PdPt alloy catalysts under operando conditions. The insights gained will guide the design of efficient and selective catalysts for CO2 hydrogenation.
DOI: 10.15151/esrf-es-2295870944
title: Magnetic coherent diffractive imaging

description: We propose to implement magnetic coherent diffractive imaging (MCDI) on ID12, with the longer term prospect to perform volumetric and vectorial imaging under applied magnetic field. In this first step, we will work at the Gd L3 edge and first implement 2D-MCDI on magnetic domains in a thick Fe/Gd multilayer, then 3D-MCDI on Co-Gd microbeads with non-trivial magnetic configurations.
DOI: 10.15151/esrf-es-2297576860
title: Measuring the electronic and structural changes of a NiFe-based electrocatalyst during the Oxygen evolution reaction in the presence of a ma

description: Magnetic fields have been shown to increase the efficiency of the Oxygen Evolution Reaction (OER) of Ni and Fe-based electrocatalysts up to 40%. This offers the prospect of surpassing the efficiency of current benchmark electrocatalysts, which are based on noble metals. However, the mechanism of the magnetic enhancement is not well understood, and it is unknown if it has a catalytic origin, as predicted by numerous theoretical studies. Our electrochemical data on a NiFe-oxide suggest the magnetic field enables an alternative reaction mechanism due to the formation of new active species and a change in the oxidation state of the Ni and Fe. The goal of this proposal is to measure the oxidation state and structural changes occurring in the electrocatalyst under magnetic field control during the OER in alkaline media. We propose to perform in-situ XANES and EXAFS as a function of applied potential and magnetic field strength.
DOI: 10.34740/kaggle/dsv/14621607
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.15151/esrf-es-2306847339
title: Operando RIXS study of O-redox in Li-ion cathodes

description: Oxygen redox in specific oxide cathodes for Li-ion batteries enables higher energy densities, yet the precise nature of the oxidized oxygen species remains difficult to identify. While resonant inelastic X-ray scattering (RIXS) has emerged as a powerful tool to probe oxidized oxygen in Li-ion cathodes, the currently employed ex situ measurements face challenges in tracking the real-time evolution of oxidized oxygen species, highlighting the need for operando O-K edge RIXS measurements. Recently, we conducted preliminary operando RIXS experiments at the ESRF ID32 beamline, disqualifying the liquid electrolyte approach but validating a promising all-solid-state battery approach for acquiring O-K edge RIXS data on cathode electrodes during (dis)charge (proposal MA-6569, see report). Following prior study, this proposal aims to advance the operando RIXS experiment with optimized cell design for better RIXS signal, which would constitute pioneering work in the battery-research field.
DOI: 10.15468/dl.4fzn62
title: Occurrence Download

description: A dataset containing 933 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Daphne tangutica"
 ]
}

 The dataset includes 933 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011819-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.