cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-2283716577
title: Bridging the gap between cellular and whole body imaging using Hierarchical Phase-Contrast Tomography: HiP-CT

description: Humans and other large organisms are three-dimensional multiscale biological systems where large scale function and structure are dependent on the macrostructure’s interconnectivity down to the cellular and subcellular level. Using the exceptional coherence provided by the ESRF-EBS, we have demonstrated that propagation-based phase-contrast can effectively decouple resolution from specimen size in soft tissue, obtaining 1.4 micron voxel resolution in 150 mm diameter human organs. Through this Long Term Proposal (LTP) we will develop the techniques required to image whole human and animal bodies ex vivo at 25 micron resolution, zooming to sub-micron voxels (0.7micron) locally, resolving sub-cellular structures through hard- and soft-tissue. Resolving how the micro (sub-cellular) interacts with the macro (whole organism) across length scales will provide all new insights into biological and biomedical function. This is true for both healthy and pathological system level behaviour.
DOI: 10.15151/esrf-es-2312903349
title: Investigating large-grain two-dimensional Zn2(benzimidazole)4 film with thickness of 10 nm

description: Metal-organic frameworks (MOFs) are highly adaptable materials with tunable, ordered structures, making them ideal for various applications, including complex molecular separations. Our group has pioneered unit-cell-thick MOF films that exhibit exceptional separation performance, surpassing state-of-the-art membranes1-3. Our next objective is to fabricate a single-crystal 2D MOF film with an extremely high aspect ratio—achieving grain sizes of 1 mm or larger while maintaining a thickness of just one unit cell (~2 nm). This approach aims to minimize the impact of grain-boundary defects on molecular transport. To accomplish this, we have developed an innovative synthesis strategy. Utilizing BM01 beamtime at CRG at ESRF, we seek to analyze the orientation, grain size, and texture of the 2D MOF film. The insights gained will enable us to refine our synthesis method, ultimately leading to the first-ever single-crystal MOF film with a macroscopic lateral size (1 cm or more), pushing the boun
DOI: 10.15151/esrf-es-2312903855
title: DNA-loaded polymeric nanoparticles: structure and interaction with lipid membranes

description: Polycations can efficiently condense plasmid DNA (pDNA) to safely reach target cells without activating the immune system. However, the role of polycations structure on the interaction with cells membranes and toxicity of polyplexes remain unclear. Our aim is to investigate the condensation of pDNA into polycations with different architectures (linear and 3-4 arms star) obtained by innovative formulation methods. This goal can be achieved by performing small angle x-ray scattering on a wide q-range. Moreover, in addition to our previous observations, we want to study the interaction of different condensates with lipid membranes, to understand the effect of polyplexes structure on cellular uptake. For this, we intend to perform both small- and wide-angle scattering experiments. Since we have already demonstrated in vivo high transfection efficiency of our formulations, the scattering experiments will help us to choose the best polycation condensate for in vivo tests on 6 weeks old mice.
DOI: 10.15151/esrf-es-2312903897
title: The Pt-Ni Model System: Unraveling the Energetic Mechanism Driving Alkaline Hydrogen Evolution Reaction

description: This study aims to provide fundamental insights into the bifunctional and H-M binding energy mechanisms of Pt-Ni with three different particle motifs (alloy, core-shell with Pt rich and Ni-segregated shell) to boost the HER activity in alkaline environment. We will follow the potential-dependent changes in oxidation state and atomic environment of Pt and Ni species for the three particle motifs before and during the HER in alkaline media probed by operando XAS technique in Ni K and Pt L3 edges. Linear combination fit (LCF) and multi-edge EXAFS analyses will be applied to correlate the oxidation state and atomic environment of Pt and Ni for these particle motifs with the HER activity in base
DOI: 10.15151/esrf-es-2312904114
title: Observation of phase evolution in porphyrinic Zr metal-organic frameworks

description: In accordance with our preliminary results, the porphyrinic Zr metal-organic frameworks (MOFs), display a distinct phase evolution on modulated solvo-thermal synthesis, in which the undercoordinated PCN-222 framework first forms and then transforms into the fully coordinated PCN-223. In this proposed experiment we which to validate our hypothesis based on the PCN-222 being the kinetically favoured form, whilst the PCN-223 is the thermodynamically stable polymorph, all the while acquiring mechanistic insights into the formation of both frameworks and the phase transformation itself. To this end, we will perform XANES/EXAFS-PDF-PXRD analysis, on multiple length-scale as a function of time, in operando conditions. The expected outcomes will shed light on the phase behaviour and ultimately enable the better design of reaction conditions for each polymorph.
DOI: 10.15151/esrf-es-2312904256
title: Kinetics and Thermodynamics of Concentrated Block Copolymer Solutions

description: Isoporous block copolymer (BCP) membranes are interesting candidates for ultrafiltration applications. They can be successfully produced via the ‘self-assembly and nonsolvent-induced phase separation’ process by transferring a block copolymer solution film into a precipitation bath after a specific evaporation time. The thermodynamic and kinetic properties of the block copolymer solutions play a crucial role in this process. A deeper understanding of this complex process enables a more precise prediction of the membrane morphology. Via (U)SAXS and USAXS-XPCS we want to get access to the thermodynamic interaction parameters and diffusion coefficients. Knowing the detailed interaction between all relevant kinetic and thermodynamic parameters will help to complete a simulation model that can be used to predict any membrane structure in the future just by inserting parameters like molecular weight and evaporation time or predicting the parameters to be used in order to obtain the desired.
DOI: 10.15151/esrf-es-2312904453
title: Investigating the local structure of zinc-halide-modified zeolitic imidazolate framework glasses by X-ray total scattering

description: The ability to melt and form glasses from metal-organic frameworks (MOFs) enables their processing into bulk materials and complex shapes. However, strategies for systematically tuning the structure and properties of MOF glasses remain largely unexplored. In this proposal, we address this challenge by incorporating zinc halide salts into zeolitic imidazolate frameworks (ZIFs), a subclass of MOFs. These salts act as chemical modifiers, allowing precise control over the chemical composition, glass transition temperature (Tg), and Zn2+ ion conductivity of the resulting glasses. Using X-ray total scattering experiments and pair distribution function (PDF) analysis, we aim to uncover key structural features of the modified glasses and their liquid phases, providing fundamental insights into their thermal behaviour and ionic transport properties.
DOI: 10.15151/esrf-es-2312904497
title: Investigating silicon coordination variation in Earth's mantle in CaSi2O5 and CaSiTiO5 at high-pressure and high-temperature conditions

description: This proposal aims to explore the high-pressure structural behavior CaSiTiO5 and CaSi2O5, which are important accessory phases foud as inclusions in super deep
diamonds. Previous results showed interesting phase transition in CaSi2O5 at room temperature and similar transitions have been recently predicted to occurr at lower pressures also in CaSiTiO5. Using the ID15b beamline at ESRF, we plan to conduct single crystal diffraction experiments under high-pressure conditions to confirm the predicted behavior of CaSiTiO5 and high-pressure high-temperature studies on both structures. The results will provide insights into the structural behavior of these phases and the occurrence of these phase transitions at conditions compatible with the Earth’s mantle.
DOI: 10.15151/esrf-es-2312904541
title: Revealing the Activity Mechanism of Sulfided Ni-Foam in Alkaline Water Electrolysis Under Industrial Conditions Using Operando X-ray Diffrac

description: Sulfided nickel foam has emerged as a highly promising electrode material for enhancing the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in alkaline water electrolysis. However, the fundamental mechanisms driving its improved performance, particularly under industrially relevant conditions, remain insufficiently understood. This study aims to elucidate the phase transformations occurring in sulfided Ni-foam electrodes during electrolysis, including start-up and shutdown cycles, through operando X-ray diffraction. Specifically, we will identify the active HER phases and investigate the correlation between the relative proportions of the crystalline phases such as α- and β-Ni(OH)₂ and catalytic activity. The insights gained will contribute to a deeper understanding of the structure-performance relationships in sulfided Ni-based electrodes, facilitating the development of optimized electrode materials and operational strategies for more efficient and durable elect
DOI: 10.15151/esrf-es-2353229769
title: Projectome of the mammalian navigation system

description: This inhouse experiment aims at completing the acquisition of the projectome of the Etruscan Shrew brain from LS-3543. Place and grid cells representing space in the brain are present in the hippocampus (HC) and in the medial entorhinal cortex (MEC). Their interconnectivity remains unknown. We aim to map the complete HC-MEC projectome to quantify source-target projections and analyze the spatial navigation system.
DOI: 10.15151/esrf-es-2312891720
title: X-ray scattering studies of lignin-hemicelluloses hybrid nanoparticles

description: Lignin, one of the most abundant natural polymers, can be converted into nanoparticles (LNPs) to enable its use as a Pickering emulsifier. However, the LNPs forms aggregates at low pH, limiting its use in edible emulsions. Coating them with hemicelluloses prevented this aggregation, but the physical properties of this hemicellulose layer has yet to be characterized, especially regarding its effect towards the structure of interfacial layers formed by the LNPs. Combining USAXS, GISAXS, and XRR experiments at ID02 and ID10-SURF, we aim to understand the relationship between how the type of lignin and modification methods during the fabrication of the hybrid hemicellulose-lignin nanoparticles affect their surface properties. The results would provide a framework in modifying LNPs based on the desired emulsifying capabilities. In turn, this would promote a more complete use of lignocellulosic biomass as a renewable source of functional materials.
DOI: 10.15151/esrf-es-2312904293
title: Understanding the effect of topology on the strain distribution of a new additive manufactured Al alloy by coupling X-ray nano-tomography an

description: Additive manufacturing of metallic alloys is a new innovative manufacturing process, which allows producing peculiar out-of equilibrium microstructures. More fundamental knowledge is needed to facilitate its implementation in the industry. The aim of this study is to investigate the effect of the topology of microstructures produced by Laser Beam - Powder Bed Fusion (LB-PBF) on their mechanical behavior. A focus will be made on the characterization of the influence of the microstructure's meso-scale architecture on the strain localization, which is only visible at the grain-scale with a resolution of at least 50nm. Therefore a 3D multi-scale strain characterization technique is necessary. The 3D X-Ray nano-tomography imaging provided at ID16B is reaching a voxel size of up to 25nm^3 and fast acquisition time. Coupled with Digital Volume Correlation, the resulting volumes will allow us to measure the local strain field variations on samples with different process parameters.
DOI: 10.15151/esrf-es-2312903348
title: Ex-situ spectro-BCDI of CO2 reduction catalyst nanoparticles

description: Converting CO₂ to value‐added chemicals via catalysis is a key approach to mitigating emissions. Cu, PdPt, and NiFe alloy nanoparticles (NPs) are promising CO₂ reduction catalysts and subjects of ongoing and future in‑situ operando 3D spectro‑BCDI experiments. This state‑of‑the‑art tool correlates NP structural (lattice strain, defects, facets, morphology) and chemical (composition, oxidation states) features, guiding catalyst design. To exploit this, we propose a preliminary ex‑situ study of these NP catalysts at BM02—a beamline specialized in anomalous x‑ray diffraction (including DAFS and resonant scattering)—to generate a baseline dataset for refining spectro‑BCDI analysis protocols.
DOI: 10.15151/esrf-es-2312904175
title: Stored energy and dislocation populations in single grains of tensile deformed copper and iron polycrystals

description: We propose a new way to address crystal plasticity, which is based on the anisotropic strain broadening of diffraction peaks. The method is complementary to texture characterization and allows to determine the dislocation types and their distribution on different slip systems. A 3DXRD experiment is planned and combined with DCT and Scanning 3DXRD. The strain energy of single grains will be calculated based on the modified Williamson and Hall plot. The results can have important implications in unsolved problems of materials sciences, such as crystal plasticity, recovery and recrystallization. In the two letter phenomena strain energy is considered as the driving force.
DOI: 10.15151/esrf-es-2282502266
title: The European Battery Hub

description: This project is the continuation of the Battery Pilot Hub (MA4929), a pioneer initiative at ESRF designed to achieve large-scale synchrotron-based correlative characterization of battery materials (2021-24). The European Battery Hub is the demonstrator of this new community-driven approach, where we will develop, expand and deploy integrated workflows to resolve scientific challenges towards more sustainable battery technologies. We will focus on Na-ion Batteries and All Solid State Batteries, while ensuring transferability of methods to other systems. The Hub will provide a holistic understanding of reaction and degradation mechanisms by pushing the frontiers of time and space resolution thanks to the exceptional coherence and brilliance of the X-rays at ESRF. Six core beamlines are identified to realize the program (ID31, ID13, BM32, ID16b, ID20, ID26), where novel set-ups, sample environments, interoperable cells, common data handling protocols and pipelines will be developed.
DOI: 10.15151/esrf-es-2312891115
title: Tracking Mo speciation in MoS2 under electrochemical conditions via operando grazing incidence XAS

description: Molybdenum disulfide (MoS2) is recognized as a promising alternative catalyst to platinum for the hydrogen evolution reaction (HER). Despite extensive research, the actual surface chemistry of MoS2 under real electrochemical conditions remains unclear and undermine its stability. Pourbaix diagrams predict diverse chemical states and surface transformations for MoS2 electrodes providing a background for the interpretation of stability data. However, Pourbaix diagram predictions have not been experimentally confirmed under operating conditions. Accordingly, we propose an in situ and operando X-ray absorption spectroscopy (XAS) to directly observe the molybdenum transformations, providing critical insights into the relationship between MoS2 chemical speciation and catalytic performance.
DOI: 10.15151/esrf-es-2312891537
title: Investigating the oxidation states of plutonium and its local structure in single hot particles

description: Characterizing “hot particles”, micrometre-sized fragments of nuclear material, is crucial for assessing environmental contamination and health risks after nuclear incidents. The speciation of elements like plutonium within these particles is especially challenging due to their rather low concentration. This study employs High-Energy-Resolution Fluorescence-Detected (HERFD) XANES at the L3-edge to probe the oxidation states and local structure of plutonium in individual hot particles. With this information, we aim to provide unprecedented insights into their dissolution behaviour and mobility of their radioactive inventory. These findings are anticipated to guide the development of effective decontamination strategies and refine risk assessment models.
DOI: 10.15151/esrf-es-2312891598
title: Operando GI-WAXS and in-situ GI-XAS characterisation of the Li metal - garnet solid electrolyte interface degradation in solid-state batteri

description: Solid-state batteries (SSBs) based on garnet solid electrolytes (SE) and lithium metal anodes promise safe, high-energy storage devices. While bulk properties of garnet SEs are well-characterised, their reaction mechanisms with Li metal remain poorly understood. Traditional analysis methods, limited by the buried nature of the Li-SE interface, rely on destructive techniques that hinder mechanistic insights. To overcome these limitations, we propose operando grazing incidence wide-angle x-ray scattering (GI-WAXS) and in-situ near-edge x-ray absorption spectroscopy (GI-XAS) on symmetric Li-SE-Li cells to non-destructively identify interface decomposition products, their orientation and spatial distribution, and track element oxidation states in-situ during cycling. Since these degradation mechanisms exacerbate Li-metal dendrite initiation and voids (contact loss) at the Li-SE interface, our results will enable the rational design of stable Li-SE interfaces thereby extending cycle life.
DOI: 10.15151/esrf-es-2312891760
title: Analysis of Synthesis, Structure and Performance relationships in Fe/Cu-doped SSZ-13 Catalysts

description: Methane (CH₄) emissions significantly contribute to global warming and represent an untapped carbon resource. Cu-SSZ-13 zeolites are known for their high catalytic efficiency in CH₄-to-methanol (CH₃OH) conversion, but challenges such as over-oxidation and high activation temperatures persist. Our previous studies demonstrated that Fe incorporation enhances Cu-SSZ-13 performance by promoting the formation of active [Cu(trans-μ-1,2-O₂)Cu]²⁺ species, yet the structural dynamics of these sites remain unclear.
This proposal aims to employ operando XAFS to elucidate the evolution of Cu and Fe species in Fe-Cu-SSZ-13 during CH₄ oxidation with N₂O. By correlating synthesis parameters, structural changes, and catalytic performance, we seek to establish design principles for efficient bimetallic zeolite catalysts for selective CH₄-to-CH₃OH conversion.
 conversion.
DOI: 10.15151/esrf-es-2312892151
title: Foliar uptake of copper by native plants from vineyards: a way to protect soils?

description: Vineyard soils are contaminated with copper (Cu) due to the use of Cu-based fungicides, even in organic viticulture. Hitherto, phytoremediation to extract Cu from these soils has been limited. This project is focused on an alternative approach that uses inter-row native plant cover to protect vineyard soils from the current copper applications, hypothesizing a foliar metal uptake. Our objective is to determine the mechanisms of Cu foliar uptake and incorporation in two plants Amaranthus retroflexus and Chenopodium album identified in European vineyards. For that, Cu chemical imaging by micro X-ray fluorescence (µXRF), and Cu speciation by micro X-ray Absorption Near Edge Structure spectroscopy (µXANES) will be combined. This information will be essential to conclude on the potential of these plants to protect soils.
DOI: 10.15151/esrf-es-2312892205
title: Using europium (Eu) redox state to trace the evolution of seawater chemistry over the past 4 billion years

description: The aim of this study is to determine the redox state of Eu hosted in banded iron formations (BIFs) deposited on seafloor at different times of the Earth’s history using XANES. We recently discovered that Eu isotopic compositions were fractionated in hydrothermal cells and reported the first d153Eu/151Eu values different from zero that we measured in several BIF samples worldwide and modern hydrothermal precipitates. All these samples also display significant Eu enrichments. It has been proposed that the processes responsible for Eu enrichments and isotopic fractionation are related to the reduction of Eu3+ to Eu2+ at high temperature in hydrothermal cells. However, no correlation was found between Eu enrichment and isotopic anomalies. Determining the valence state of Eu in modern hydrothermal deposits and Archean BIF with variable Eu enrichments and isotopic anomalies will be key to understand the physicochemical conditions in which sediments were deposited in ancient oceans.
DOI: 10.15151/esrf-es-2312892229
title: Lattice dynamics in non-crystalline and crystalline metal organic frameworks

description: We propose to measure the phonon dispersion relations in a series of metal-organic framework (MOF) materials which vary from crystalline to non-crystalline depending on the functionalization of their organic building units. Typically, the dynamics of crystalline materials are seen as markedly different from those of non-crystalline materials. We propose to measure 3 members of the MOF-5-CX series, spanning periodic and non-periodic variants, and MOF-5 to compare the non-crystalline materials with crystalline controls. We want to answer the question: Do the unconventional non-periodic materials studied show crystal-like dispersion relations or glass-like continua of excitations? This study is expected to provide valuable insights into the dynamics of highly complex disordered framework materials.
DOI: 10.15151/esrf-es-2312892293
title: Magnetic excitations and 4f anisotropy in SmCo permanent magnets studied with RIXS

description: SmCo magnets are ubiquitous in applications requiring permanent magnets due to their outstanding magnetic performance. Despite their technological importance and continuous development in terms of material engineering, there are still many fundamental aspects which are not fully explored. Most importantly, there are still no experimental studies of the collective magnetic excitations in these materials. Here we propose to explore for the first time the dispersion relation of the Co magnons in SmCo5 and Sm2Co17 thin films and their interaction with local Sm 4f levels using high-resolution RIXS.
DOI: 10.15151/esrf-es-2319821168
title: Operando spectroscopic Bragg Coherent Imaging during CO2 Reduction on Copper

description: The large-scale consumption of fossil fuels since the beginning of the 20th century has caused environmental pollution and has significantly increased the CO2 levels in the atmosphere. Due to global warming this increase has a large effect on the global temperature, raising it by 1°C in recent years. Developing electrocatalysts for CO2 electrochemical reduction (CO2RR) has attracted much attention as a promising means of producing useful chemicals and fuels. The use of Cu and alloyed Cu nanoparticles is an effective strategy to tune the catalytic properties. Furthermore, electrocatalysts play a key role in determining the product selectivity and overpotential in CO2RR. Using spectroscopic Bragg coherent X-ray diffraction imaging (spectro-BCDI), we aim to investigate how these factors manifest themselves at the nanoscale by studying the structural (lattice strain, defects, facets, and morphology), and chemical (composition and oxidation states) characteristics of electrocatalysts under
DOI: 10.15151/esrf-es-2343476964
title: EWOKS for XRR: deployment, tests and validation on a scientific case

description: This experiment will be the test of the EWOKS data analysis workflow for X-ray reflectivity measurements. Actual samples will be used to confirm the interest of the workflow.