cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2510745-1
title: Compression effects in chiral osmates

description: Chirality in nature has long fascinated humankind, as has its application in organic chemistry. Recently though, chiral inorganics have found new recognition as a potentially rich source of complex physical responses coupling structural, thermal, electric and magnetic effects which are otherwise symmetry-forbidden. Famous examples of chiral inorganics are e.g. quartz, well known for its ability to rotate the polarisation plane of light and MnSi, hosting skyrmions.
 
We recently discovered the chiral osmates Ba2Os3O9 and Ba4Os6O18Cl. These are KSbO3-type materials with edge-sharing pairs of octahedra, linked together orthogonally by their corners into a 3-dimensional network. We propose to investigate the effects of chirality on the compression behaviour of the crystal structure in these materials, using the achiral compound Bi3Os3O11 as a reference.
DOI: 10.5286/isis.e.rb2510745
title: Compression effects in chiral osmates

description: Chirality in nature has long fascinated humankind, as has its application in organic chemistry. Recently though, chiral inorganics have found new recognition as a potentially rich source of complex physical responses coupling structural, thermal, electric and magnetic effects which are otherwise symmetry-forbidden. Famous examples of chiral inorganics are e.g. quartz, well known for its ability to rotate the polarisation plane of light and MnSi, hosting skyrmions.
 
We recently discovered the chiral osmates Ba2Os3O9 and Ba4Os6O18Cl. These are KSbO3-type materials with edge-sharing pairs of octahedra, linked together orthogonally by their corners into a 3-dimensional network. We propose to investigate the effects of chirality on the compression behaviour of the crystal structure in these materials, using the achiral compound Bi3Os3O11 as a reference.
DOI: 10.5286/isis.e.rb2520162-1
title: Investigation of Oxide Ion Conductivity in Mo2Ta2O11

description: Interest in oxide-ion conducting materials has grown recently due to their application as electrolytes in solid-oxide fuel cells (SOFCs). In order to make SOFCs more economical, it is highly desirable to move towards lower working temperatures. To reach this goal new electrolyte materials are needed with high oxide ion conductivity at 400 – 600 °C. We have investigated the crystal structure and electrical properties of Mo2Ta2O11. 
Preliminary impedance spectroscopy characterization shows that Mo2Ta2O11 exhibits sizeable oxide ion conductivity with a total conductivity in dry air of 1 x 10-4 S cm-1 at 600 °C. This demonstrates that Mo2Ta2O11 has potential as an electrolyte for ceramic fuel cells if the conductivity can be improved further by chemical doping. Negative thermal expansion (NTE) is also observed in Mo2Ta2O11 over a wide temperature range but to date no neutron diffraction experiment has been performed.
In order to understand the mechanisms of oxide ion conductivity and NTE in Mo2Ta2O11, we aim to perform a variable temperature neutron diffraction experiment on Polaris. Neutrons will be essential for the identification and accurate determination of the position of the oxygen atoms and to check if there are any oxygen interstitials present. This experiment will also enable us to observe any structural rearrangement of the oxygen sub-lattice upon heating and/or change in crystal symmetry and develop structure property relationships.
DOI: 10.5286/isis.e.rb2520162
title: Investigation of Oxide Ion Conductivity in Mo2Ta2O11

description: Interest in oxide-ion conducting materials has grown recently due to their application as electrolytes in solid-oxide fuel cells (SOFCs). In order to make SOFCs more economical, it is highly desirable to move towards lower working temperatures. To reach this goal new electrolyte materials are needed with high oxide ion conductivity at 400 – 600 °C. We have investigated the crystal structure and electrical properties of Mo2Ta2O11. 
Preliminary impedance spectroscopy characterization shows that Mo2Ta2O11 exhibits sizeable oxide ion conductivity with a total conductivity in dry air of 1 x 10-4 S cm-1 at 600 °C. This demonstrates that Mo2Ta2O11 has potential as an electrolyte for ceramic fuel cells if the conductivity can be improved further by chemical doping. Negative thermal expansion (NTE) is also observed in Mo2Ta2O11 over a wide temperature range but to date no neutron diffraction experiment has been performed.
In order to understand the mechanisms of oxide ion conductivity and NTE in Mo2Ta2O11, we aim to perform a variable temperature neutron diffraction experiment on Polaris. Neutrons will be essential for the identification and accurate determination of the position of the oxygen atoms and to check if there are any oxygen interstitials present. This experiment will also enable us to observe any structural rearrangement of the oxygen sub-lattice upon heating and/or change in crystal symmetry and develop structure property relationships.
DOI: 10.5286/isis.e.rb2520365-1
title: Static and Dynamic Structural Characterization of Yield Stress Fluids for Direct Ink Writing

description: Direct ink writing (DIW) is a three-dimensional (3D) printing technique that involves the continuous extrusion of yield stress fluids (YSF). These YSFs must be able to flow through narrow nozzles, re-structure in short timescales upon deposition and retain the predesigned 3D shape. Understanding the links between the structure and assembly of constituent (macro)molecules in YSF and their rheology is central to successful manufacturing via DIW. However, local structures and microscopic dynamics within YSF can be highly heterogeneous, which impact printing performance and the structural features of final printed parts. We have new experimental results from rheo-microscopy experiments, combining particle tracking and cross-polarised imaging, which reveal some novel structural transitions and local flows in two model YSF systems.We request static SANS and rheo-SANS measurements, coupled with polarised imaging, to understand the nanoscale assemblies responsible for these observations to advance our understanding of these YSFs, and to unlock a step change in formulation for DIW.
DOI: 10.5286/isis.e.rb2520365
title: Static and Dynamic Structural Characterization of Yield Stress Fluids for Direct Ink Writing

description: Direct ink writing (DIW) is a three-dimensional (3D) printing technique that involves the continuous extrusion of yield stress fluids (YSF). These YSFs must be able to flow through narrow nozzles, re-structure in short timescales upon deposition and retain the predesigned 3D shape. Understanding the links between the structure and assembly of constituent (macro)molecules in YSF and their rheology is central to successful manufacturing via DIW. However, local structures and microscopic dynamics within YSF can be highly heterogeneous, which impact printing performance and the structural features of final printed parts. We have new experimental results from rheo-microscopy experiments, combining particle tracking and cross-polarised imaging, which reveal some novel structural transitions and local flows in two model YSF systems.We request static SANS and rheo-SANS measurements, coupled with polarised imaging, to understand the nanoscale assemblies responsible for these observations to advance our understanding of these YSFs, and to unlock a step change in formulation for DIW.
DOI: 10.5286/isis.e.rb2520163-1
title: Interferometric Sensors Based on Spinel Ferrites AB2O4 Doped with Nd3+and Ce3+

description: In recent years, our group has developed a patented proteic sol-gel method for synthesizing spinel-type ferrites [1,2], using gelatin as an organic precursor [3]. This route offers rapid processing, low cost, environmental sustainability, and allows precise control over nanoparticle size. To enhance thermal treatment, we designed a rotary tube furnace [5], which improves homogeneity and phase purity. Our central hypothesis is that the proteic sol-gel method promotes specific cation distributions and inversion degrees in CoFe2O4 ferrites doped with Nd3+ and Ce3+, which directly affect their structural and magnetic properties. These dopants were selected due to their distinct ionic radii, electronic configurations, and magnetic moments, which influence their occupancy of tetrahedral and octahedral sites in the spinel lattice. This comparison helps determine whether the effects are specific to each element or reflect broader rare-earth behavior. The study will examine samples with varying doping levels to identify trends and critical thresholds. No neutron diffraction studies have yet examined materials synthesized by this method. Thus, this proposal aims to address that gap, combining neutron diffraction and complementary techniques to better understand the structural and magnetic behavior of rare-earth-doped spinel ferrites produced via the proteic sol-gel method.
DOI: 10.5286/isis.e.rb2520163
title: Interferometric Sensors Based on Spinel Ferrites AB2O4 Doped with Nd3+and Ce3+

description: In recent years, our group has developed a patented proteic sol-gel method for synthesizing spinel-type ferrites [1,2], using gelatin as an organic precursor [3]. This route offers rapid processing, low cost, environmental sustainability, and allows precise control over nanoparticle size. To enhance thermal treatment, we designed a rotary tube furnace [5], which improves homogeneity and phase purity. Our central hypothesis is that the proteic sol-gel method promotes specific cation distributions and inversion degrees in CoFe2O4 ferrites doped with Nd3+ and Ce3+, which directly affect their structural and magnetic properties. These dopants were selected due to their distinct ionic radii, electronic configurations, and magnetic moments, which influence their occupancy of tetrahedral and octahedral sites in the spinel lattice. This comparison helps determine whether the effects are specific to each element or reflect broader rare-earth behavior. The study will examine samples with varying doping levels to identify trends and critical thresholds. No neutron diffraction studies have yet examined materials synthesized by this method. Thus, this proposal aims to address that gap, combining neutron diffraction and complementary techniques to better understand the structural and magnetic behavior of rare-earth-doped spinel ferrites produced via the proteic sol-gel method.
DOI: 10.5286/isis.e.rb2510738-2
title: Understanding the link between fibre structure and viscoelasticity in PEGMAL hydrogels

description: The extracellular matrix (ECM) provides a niche for tissue-resident cells, comprising various components such as water, polysaccharides, and structural proteins like fibronectin (FN), which offer both structural and functional support. Natural ECMs are viscoelastic and exhibit stress relaxation properties. However, synthetic hydrogels commonly used for 3D cell culture tend to be purely elastic. Therefore, there is a growing need for viscoelastic hydrogels that better replicate ECM behaviour in vitro. We wish to compare the scattering from the primary assembled structures and any potential network changes to gels upon relaxation after a strain is applied. SANS is the preferred technique as it can be performed on the self-assembled structures in-situ compared to drying them for microscopy, which can alter the aggregation and result in drying artefacts. We wish to gel our samples on the rheometer and collect RheoSANS on these samples as they gel. We also wish to probe how these gels relax in response to strain. RheoSANS allows us to directly correlate the structural changes with the evolving rheology, which is not possible with static or offline measurements. In their entirety, these experiments will provide us with crucial information to further understand our gel systems to better tailor our hydrogels to mimic the bone marrow niche.
DOI: 10.5286/isis.e.rb2520624-1
title: Layer Ordering Effects on Spintronic THz Emission Probed by PNR (LOR-THz)

description: Magnetic multilayers are being explored as possible THz emitters (microwave to infrared range) due to their relative simplicity to prepare and integration with existing spintronics technology. In such multilayers, electromagnetic terahertz (THz) waves can be generated by femtosecond-laser excitation of spintronic stacks via the conversion of transient, optically excited spin states into ultrafast charge currents. The development of THz emitters and sensors holds immense potential for next-generation telecommunications, imaging, and sensing. In spintronic based emitters, the strength of the THz output is governed by the efficiency of spin current generation, transmission, and spin-to-charge conversion. This can be highly sensitive to the magnetic and structural properties at buried ferromagnet/non-magnetic metal interfaces, which are inaccessible using conventional X-ray reflectivity or bulk magnetometry techniques. Indeed, our preliminary results show that the sequence of layers in the stack significantly impacts THz emission, with certain W- and Fe-based configurations yielding much higher output compared to inverted structures. 

This proposal seeks beamtime on POLREF instrument that will resolve depth-dependent magnetisation in spintronic trilayers on glass substrates. The central focus is to understand how layer ordering—specifically W/Py/Pt vs. Pt/Py/W—affects magnetisation profiles, roughness, and ultimately the THz emission performance.
DOI: 10.5286/isis.e.rb2520624
title: Layer Ordering Effects on Spintronic THz Emission Probed by PNR (LOR-THz)

description: Magnetic multilayers are being explored as possible THz emitters (microwave to infrared range) due to their relative simplicity to prepare and integration with existing spintronics technology. In such multilayers, electromagnetic terahertz (THz) waves can be generated by femtosecond-laser excitation of spintronic stacks via the conversion of transient, optically excited spin states into ultrafast charge currents. The development of THz emitters and sensors holds immense potential for next-generation telecommunications, imaging, and sensing. In spintronic based emitters, the strength of the THz output is governed by the efficiency of spin current generation, transmission, and spin-to-charge conversion. This can be highly sensitive to the magnetic and structural properties at buried ferromagnet/non-magnetic metal interfaces, which are inaccessible using conventional X-ray reflectivity or bulk magnetometry techniques. Indeed, our preliminary results show that the sequence of layers in the stack significantly impacts THz emission, with certain W- and Fe-based configurations yielding much higher output compared to inverted structures. 

This proposal seeks beamtime on POLREF instrument that will resolve depth-dependent magnetisation in spintronic trilayers on glass substrates. The central focus is to understand how layer ordering—specifically W/Py/Pt vs. Pt/Py/W—affects magnetisation profiles, roughness, and ultimately the THz emission performance.
DOI: 10.5286/isis.e.rb2520633-1
title: Probing Solvent Effects on Reactivity: Neutron Scattering Study of 2-Butanone in Water and tert-Butanol

description: Solvent effects play a pivotal role in determining the rate and selectivity of catalytic reactions, yet the molecular-level origins of these effects often remain elusive. A striking example is the hydrogenation of 2-butanone (methyl ethyl ketone), which proceeds efficiently in water but is hindered or significantly slower in tert-butanol. It is suggested that tert-butanol forms a sterically congested solvation shell around the 2-butanone molecule, limiting access to the reactive carbonyl group and reducing catalytic activity. In this study, we aim to investigate the structural interactions between 2-butanone and two contrasting solvents—water and tert-butanol—using total neutron scattering across a wide Q-range (0.02 to 50 Å⁻¹). This approach will provide insight into solvation structure, hydrogen bonding, and spatial organisation at both long and short length scales. By resolving these molecular interactions, we hope to better understand how solvent environment influences catalytic performance, paving the way for more rational solvent selection in heterogeneous catalysis.
DOI: 10.5286/isis.e.rb2520633
title: Probing Solvent Effects on Reactivity: Neutron Scattering Study of 2-Butanone in Water and tert-Butanol

description: Solvent effects play a pivotal role in determining the rate and selectivity of catalytic reactions, yet the molecular-level origins of these effects often remain elusive. A striking example is the hydrogenation of 2-butanone (methyl ethyl ketone), which proceeds efficiently in water but is hindered or significantly slower in tert-butanol. It is suggested that tert-butanol forms a sterically congested solvation shell around the 2-butanone molecule, limiting access to the reactive carbonyl group and reducing catalytic activity. In this study, we aim to investigate the structural interactions between 2-butanone and two contrasting solvents—water and tert-butanol—using total neutron scattering across a wide Q-range (0.02 to 50 Å⁻¹). This approach will provide insight into solvation structure, hydrogen bonding, and spatial organisation at both long and short length scales. By resolving these molecular interactions, we hope to better understand how solvent environment influences catalytic performance, paving the way for more rational solvent selection in heterogeneous catalysis.
DOI: 10.5286/isis.e.rb2520102-1
title: Revealing hidden atomic ordering in FeMn(P,Ge)

description: In the magnetic refrigeration system FeMn(P,Si), there is a known ordering of the metals on two crystallographic sites. However, any ordering of the non-metals, on their two sites are currently unknown. P and Si have a very similar scattering power using both X-rays and neutron scattering methods, making them experimentally challenging to separate. By substitution Si with Ge, this challenge can be overcome making it possible to experimentally verify any preferred occupancy in the FeMn(P,Si/Ge)-system. This proposed experiment will study the nuclear structure for FeMnP0.67Ge0.33 at elevated temperature making the nuclear structure possible to analyse. These results will provide a deeper understanding of magnetic cooling materials based on Fe2P, and will also be essential to analyse the existing low temperature neutron diffraction data which also contains magnetic structure information.
DOI: 10.15468/dl.nphd59
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Gabon",
 "TaxonKey is Manis tetradactyla"
 ]
}

 The dataset includes 5 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0039164-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5286/isis.e.rb2520102
title: Revealing hidden atomic ordering in FeMn(P,Ge)

description: In the magnetic refrigeration system FeMn(P,Si), there is a known ordering of the metals on two crystallographic sites. However, any ordering of the non-metals, on their two sites are currently unknown. P and Si have a very similar scattering power using both X-rays and neutron scattering methods, making them experimentally challenging to separate. By substitution Si with Ge, this challenge can be overcome making it possible to experimentally verify any preferred occupancy in the FeMn(P,Si/Ge)-system. This proposed experiment will study the nuclear structure for FeMnP0.67Ge0.33 at elevated temperature making the nuclear structure possible to analyse. These results will provide a deeper understanding of magnetic cooling materials based on Fe2P, and will also be essential to analyse the existing low temperature neutron diffraction data which also contains magnetic structure information.
DOI: 10.5286/isis.e.rb2520041-1
title: Gapless spin excitations due to feasible nematic correlation in a frustrated zigzag chain of the magnetic semiconductor YbCuS2

description: We focus on a Yb-based semiconductor YbCuS2, which was recently proposed as the first substance exhibiting peculiar quantum phases due to the frustrated Yb3+ zigzag chain. A first-order phase transition at TO = 0.95 K exhibits reentrant behavior in magnetic fields. The ordered moments of the Yb ions are reduced to 0.3 muB/Yb and are incommensurately aligned on the ac plane, forming an elliptical helix structure. Numerical calculations and eﬀective low-energy theories suggest that a finite anisotropic exchange term converts the spin dimer-singlet state into a coexisting nematic dimer-singlet state, where novel gapless spin excitations are expected. The current proposal uses high-resolution inelastic neutron scattering to directly observe the gapless excitations resulting from the development of spin nematic correlations in the Yb zigzag chain.
DOI: 10.5286/isis.e.rb2520041
title: Gapless spin excitations due to feasible nematic correlation in a frustrated zigzag chain of the magnetic semiconductor YbCuS2

description: We focus on a Yb-based semiconductor YbCuS2, which was recently proposed as the first substance exhibiting peculiar quantum phases due to the frustrated Yb3+ zigzag chain. A first-order phase transition at TO = 0.95 K exhibits reentrant behavior in magnetic fields. The ordered moments of the Yb ions are reduced to 0.3 muB/Yb and are incommensurately aligned on the ac plane, forming an elliptical helix structure. Numerical calculations and eﬀective low-energy theories suggest that a finite anisotropic exchange term converts the spin dimer-singlet state into a coexisting nematic dimer-singlet state, where novel gapless spin excitations are expected. The current proposal uses high-resolution inelastic neutron scattering to directly observe the gapless excitations resulting from the development of spin nematic correlations in the Yb zigzag chain.
DOI: 10.5286/isis.e.rb2510221-3
title: Transition-metal ordering in sodium-ion battery material NaFe1/2Mn1/2O2

description: NaxFe1/2Mn1/2O2 is composed of only earth-abundant elements and its reversible capacity and operating voltage range make it among the best Na-ion battery materials and competitive with commercial Li-ion batteries. Our powder neutron diffraction experiment on NaFe1/2Mn1/2O2 using GEM at ISIS identifies additional Bragg reflections that are not observed with x-rays, suggesting transition-metal ordering. We have grown large single crystals of NaFe1/2Mn1/2O2, and we propose to fully determine the transition-metal ordering using neutron Laue diffraction on SXD. These results will have much wider implications for the rates and reversibility of the charge/discharge process in Li- and Na-ion battery materials with multicomponent transition-metal layers.
DOI: 10.5286/isis.e.rb2590277-1
title: Characterisation of an Incommensurate Modulation in a Geometric Ferroelectric