cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e/isis.e.rb2410418
title: Structural characterization of carbonaceous fillers in UV curable conductive composites

description: There is an increasing need and demand on next generation materials able to sense and detect surrounding physical and chemical solicitations. In this sense, multifunctional hybrid materials, obtained by the combination of functional fillers and appropriate polymers are highlighted. Here, composites based on photopolymerization emerge as the most suitable ones due to advantages such as fast and room temperature curing or improved accuracy of the printed object. However, relevant experimental drawbacks in terms of the limitation of the amount of filler added, as well as in the deterioration of the mechanical properties have been identified. The physico-chemical characterization carried out with different electrically conductive composites based on carbonaceous fillers reveal a different behaviour depending on the particle shape employed and probably ascribed to the different nanostructural organization of the fillers within the polymer matrix. Thus, learning about the filler dispersion and polymer-filler interactions is of crucial importance for a better understanding of the main macroscopic properties of UV cured nanocomposites, thereafter also allowing to improve the preparation methods. Moreover, as carbonaceous fillers and a polymer matrix are employed, whose contrast is not resolvable with SAXS, our only option to determine their structure is using neutrons as scatterers (i.e. with SANS), as the SLD of the filler and the matrix are well distinguishable.
DOI: 10.5286/isis.e/isis.e.rb2410418-1
title: Structural characterization of carbonaceous fillers in UV curable conductive composites

description: There is an increasing need and demand on next generation materials able to sense and detect surrounding physical and chemical solicitations. In this sense, multifunctional hybrid materials, obtained by the combination of functional fillers and appropriate polymers are highlighted. Here, composites based on photopolymerization emerge as the most suitable ones due to advantages such as fast and room temperature curing or improved accuracy of the printed object. However, relevant experimental drawbacks in terms of the limitation of the amount of filler added, as well as in the deterioration of the mechanical properties have been identified. The physico-chemical characterization carried out with different electrically conductive composites based on carbonaceous fillers reveal a different behaviour depending on the particle shape employed and probably ascribed to the different nanostructural organization of the fillers within the polymer matrix. Thus, learning about the filler dispersion and polymer-filler interactions is of crucial importance for a better understanding of the main macroscopic properties of UV cured nanocomposites, thereafter also allowing to improve the preparation methods. Moreover, as carbonaceous fillers and a polymer matrix are employed, whose contrast is not resolvable with SAXS, our only option to determine their structure is using neutrons as scatterers (i.e. with SANS), as the SLD of the filler and the matrix are well distinguishable.
DOI: 10.5286/isis.e/isis.e.rb2490138-1
title: LFP microwave synthesised for 2 hours
DOI: 10.3535/gwf-jzy-q3t
title: Poa palustris L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/wae-8la-7km
title: Euphorbiaceae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2410267
title: Subtle Structural changes in the new layered oxide chalcogenide Sr3Fe4S2O6

description: This proposal is to explore the subtle structural changes with temperature of a new mixed-valent iron oxide chalcogenide compound and relate the changes to the evolution of the magnetic ordering and electronic properties. In particular we will use high-resolution powder diffraction between 5 K and 950 K to probe the monoclinic distortion and the nature of the structural transitions in Sr3Fe4S2O6 as a function of temperature and how they are related to the evolution of the magnetic ordering.
DOI: 10.5286/isis.e/isis.e.rb2410267-1
title: Subtle Structural changes in the new layered oxide chalcogenide Sr3Fe4S2O6

description: This proposal is to explore the subtle structural changes with temperature of a new mixed-valent iron oxide chalcogenide compound and relate the changes to the evolution of the magnetic ordering and electronic properties. In particular we will use high-resolution powder diffraction between 5 K and 950 K to probe the monoclinic distortion and the nature of the structural transitions in Sr3Fe4S2O6 as a function of temperature and how they are related to the evolution of the magnetic ordering.
DOI: 10.5286/isis.e/isis.e.rb2490137-1
title: LFP microwave synthesised for 3 hours
DOI: 10.3535/e9j-8w9-bm2
title: Poa bulbosa L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2310531
title: Study of structure and viscosity correlation in novel ionic liquids.

description: Ionic Liquids (ILs) have three distinct structural motifs: adjacency correlations, charge alterations, and polar-apolar alterations. Each of these motifs has its own relaxation. These motifs are associated with different length scales and are described by the peaks associated with the structure-function S(Q) and its time-dependent version S(Q,t). X-ray scattering experiments and MD simulations can probe the S(Q). On the other hand, QENS can be used to probe the variation of local dynamics over different length scales associated with the process of charge blurring within the charge networks. The amphiphilic ions show nanoscale domain segregation leading to regions with diﬀerent local frictions is one of the primary motivations for us to explore neutron scattering methods to measure the dynamics on speciﬁc length scales using QENS experiments which addressed by the variation of measured diffusivities across the length scales that define the charge-ordering of these ionic liquids, 
 Experiments show changing one atom or functional group of IL anion or cation results in a noticeable change in viscosity, while the liquid structure is largely unaffected. By combining NMR measurements together with molecular dynamics from QENS and the measured and calculated liquid factors, we plan to resolve the connections between ILs structure from glassy-state to liquid state, dynamics, and ion self-diffusivities and how these combines to determine the bulk liquid shear viscosities.
DOI: 10.5286/isis.e/isis.e.rb2310531-1
title: Study of structure and viscosity correlation in novel ionic liquids.

description: Ionic Liquids (ILs) have three distinct structural motifs: adjacency correlations, charge alterations, and polar-apolar alterations. Each of these motifs has its own relaxation. These motifs are associated with different length scales and are described by the peaks associated with the structure-function S(Q) and its time-dependent version S(Q,t). X-ray scattering experiments and MD simulations can probe the S(Q). On the other hand, QENS can be used to probe the variation of local dynamics over different length scales associated with the process of charge blurring within the charge networks. The amphiphilic ions show nanoscale domain segregation leading to regions with diﬀerent local frictions is one of the primary motivations for us to explore neutron scattering methods to measure the dynamics on speciﬁc length scales using QENS experiments which addressed by the variation of measured diffusivities across the length scales that define the charge-ordering of these ionic liquids, 
 Experiments show changing one atom or functional group of IL anion or cation results in a noticeable change in viscosity, while the liquid structure is largely unaffected. By combining NMR measurements together with molecular dynamics from QENS and the measured and calculated liquid factors, we plan to resolve the connections between ILs structure from glassy-state to liquid state, dynamics, and ion self-diffusivities and how these combines to determine the bulk liquid shear viscosities.
DOI: 10.5286/isis.e/isis.e.rb2490139-1
title: LFP microwave synthesised for 1 hours
DOI: 10.3535/dmj-5lx-rxj
title: Poa L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/k2m-2ym-kqm
title: Asteraceae Dumort.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2410417
title: Saponin-lipid nanoparticles: From molecular distribution to supramolecular structure

description: Saponins are a large family of glycoconjugates that share a triterpene structure. When formulated together with phospholipids and cholesterol, they self-assemble into a variety of unique structures depending on the composition. The Matrix-M™ adjuvant consists of two different populations of physically stable nanoparticles based on two different saponin fractions, and has been successfully applied in the clinic in e.g. vaccines against Covid, malaria and veterinary vaccines. Their spherical cage-like structures and structural features have been previously characterised using lab-based methods and SAXS. However, little is understood about the molecular distribution within the saponin-lipid nanoparticles. In this proposal we address this by carrying out a SANS contrast matching study of these particles to elucidate the arrangement of molecules within these cages and to study the overall supramolecular structure label free, at concentrations and temperatures relevant to their application as products in the clinic. The findings from this study present, to our knowledge, the first characterization of the molecular distribution and detailed morphology of these saponin-based nanoparticles. The structural information gathered here will allow a deeper understanding of the interplay between structure and function and are expected to be of high scientific value for the wider community working on saponin and lipid interactions, as well as the vaccine community.
DOI: 10.5286/isis.e/isis.e.rb2410417-1
title: Saponin-lipid nanoparticles: From molecular distribution to supramolecular structure

description: Saponins are a large family of glycoconjugates that share a triterpene structure. When formulated together with phospholipids and cholesterol, they self-assemble into a variety of unique structures depending on the composition. The Matrix-M™ adjuvant consists of two different populations of physically stable nanoparticles based on two different saponin fractions, and has been successfully applied in the clinic in e.g. vaccines against Covid, malaria and veterinary vaccines. Their spherical cage-like structures and structural features have been previously characterised using lab-based methods and SAXS. However, little is understood about the molecular distribution within the saponin-lipid nanoparticles. In this proposal we address this by carrying out a SANS contrast matching study of these particles to elucidate the arrangement of molecules within these cages and to study the overall supramolecular structure label free, at concentrations and temperatures relevant to their application as products in the clinic. The findings from this study present, to our knowledge, the first characterization of the molecular distribution and detailed morphology of these saponin-based nanoparticles. The structural information gathered here will allow a deeper understanding of the interplay between structure and function and are expected to be of high scientific value for the wider community working on saponin and lipid interactions, as well as the vaccine community.
DOI: 10.5286/isis.e/isis.e.rb2420418-1
title: The liquid structure of a new electrolyte for aluminium batteries

description: Aluminium ion batteries are of great interest due to growing concerns about stable supply of lithium. Recently, we have developed an aluminium-containing electrolyte based on a liquid coordination complex (LCC), doped with an organic solvent (toluene). This doping step was crucial, and resulted in very significant improvement in cycling stability (repeated reduction and oxidation of aluminium). Despite extensive spectroscopic investigation, we were not able to understand the role of toluene in the system, and how it improves the electrochemical performance. We plan to use neutron scattering to gain detailed understanding of the liquid structure of the electrolyte (doped and undoped), which will underpin further improvements in the electrolyte design.
DOI: 10.3535/99l-l6k-v37
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/csp-wpw-kp9
title: Poa glauca Vahl

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2410467
title: Metallic Lithium formation during Solid State Electrolyte Failure

description: POLARIS beamtime will be used to determine the origin of the atoms that form metallic lithium during solid state electrolyte failure. Fast Li+ conducting garnets will be cycled offline at varying critical current densities to induce formation of metallic lithium and a short circuit. By performing this experiment with 6Li electrodes and 7Li garnet electrolyte we will be able to determine if the metallic lithium is formed (a) from 7Li already present in the electrolyte or (b) from 6Li which requires mass transport from the electrode/electrolyte interface. Resolving between these two cases will give unique insight into the garnet failure mechanisms for solid state batteries. Two days of beamtime will be used to examine three garnet compositions in pristine form and post-mortem and determine the role of different dopants in inhibiting/facilitating different failure modes.
DOI: 10.5286/isis.e/isis.e.rb2410467-1
title: Metallic Lithium formation during Solid State Electrolyte Failure

description: POLARIS beamtime will be used to determine the origin of the atoms that form metallic lithium during solid state electrolyte failure. Fast Li+ conducting garnets will be cycled offline at varying critical current densities to induce formation of metallic lithium and a short circuit. By performing this experiment with 6Li electrodes and 7Li garnet electrolyte we will be able to determine if the metallic lithium is formed (a) from 7Li already present in the electrolyte or (b) from 6Li which requires mass transport from the electrode/electrolyte interface. Resolving between these two cases will give unique insight into the garnet failure mechanisms for solid state batteries. Two days of beamtime will be used to examine three garnet compositions in pristine form and post-mortem and determine the role of different dopants in inhibiting/facilitating different failure modes.
DOI: 10.5286/isis.e/isis.e.rb2420418
title: The liquid structure of a new electrolyte for aluminium batteries

description: Aluminium ion batteries are of great interest due to growing concerns about stable supply of lithium. Recently, we have developed an aluminium-containing electrolyte based on a liquid coordination complex (LCC), doped with an organic solvent (toluene). This doping step was crucial, and resulted in very significant improvement in cycling stability (repeated reduction and oxidation of aluminium). Despite extensive spectroscopic investigation, we were not able to understand the role of toluene in the system, and how it improves the electrochemical performance. We plan to use neutron scattering to gain detailed understanding of the liquid structure of the electrolyte (doped and undoped), which will underpin further improvements in the electrolyte design.
DOI: 10.3535/fl0-dbp-49p
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/np4-1vf-2tw
title: Anthoxanthum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2220493-1
title: Complex Cation (dis-)Order in Sodium Perovskites for Battery Applications

description: The cost, geographical distribution and relative scarcity of lithium reserves has led us to search for sodium-based battery materials in a new compositional series Na1.5Ln1.5TeO6. These display a range of unusual Na+ environments that facilitate fast Na+ conduction. The property makes these structures candidates for use in Na-based batteries. Our current understanding of the ion transport is limited by analysis of X-ray diffraction data and electron microscopy, which are both insensitive to the Na and oxide positions giving only a partial picture of the crystal structures. All these compounds form variations on the perovskite structure displaing cation (dis)order or other superstructures. Neutron diffraction is vital to build a complete picture of the cation coordination, cation ordering and oxide displacements that facilitate Na migration in these new materials.
DOI: 10.5286/isis.e/isis.e.rb2420260
title: Exploring Magnetic Excitations in Fe-Doped MnNiGe Alloys through Inelastic Neutron Scattering

description: Depending on the doping site, Fe-doping significantly modifies the modulation of the incommensurate magnetic structure of MnNiGe alloy of the magnetic equiatomic alloy family. The pristine MnNiGe alloy was reported to show a helically modulated antiferromagnetic (AFM) structure. Recent neutron powder diffraction results from our group (data recorded at WISH diffractometer) indicate that helical modulation of the AFM structure remains unperturbed (except the change in propagation vector) when Fe is doped at the non-magnetic Ni-site. However, the modulation becomes cycloidal in the case of Fe-doping at the Mn-site. Such change in AFM modulation may also influence the magnetic excitation behavior (spin wave/spin fluctuation). The present proposal aimed to probe such changes in excitation behavior through inelastic neutron scattering studies at MARI of two Fe-doped alloys on nominal compositions MnNi0.75Fe0.25Ge and Mn0.85Fe0.15NiGe.
DOI: 10.5286/isis.e/isis.e.rb2420260-1
title: Exploring Magnetic Excitations in Fe-Doped MnNiGe Alloys through Inelastic Neutron Scattering

description: Depending on the doping site, Fe-doping significantly modifies the modulation of the incommensurate magnetic structure of MnNiGe alloy of the magnetic equiatomic alloy family. The pristine MnNiGe alloy was reported to show a helically modulated antiferromagnetic (AFM) structure. Recent neutron powder diffraction results from our group (data recorded at WISH diffractometer) indicate that helical modulation of the AFM structure remains unperturbed (except the change in propagation vector) when Fe is doped at the non-magnetic Ni-site. However, the modulation becomes cycloidal in the case of Fe-doping at the Mn-site. Such change in AFM modulation may also influence the magnetic excitation behavior (spin wave/spin fluctuation). The present proposal aimed to probe such changes in excitation behavior through inelastic neutron scattering studies at MARI of two Fe-doped alloys on nominal compositions MnNi0.75Fe0.25Ge and Mn0.85Fe0.15NiGe.
DOI: 10.3535/0wx-4mj-6g9
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/m22-vqr-x6h
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2220493
title: Complex Cation (dis-)Order in Sodium Perovskites for Battery Applications

description: The cost, geographical distribution and relative scarcity of lithium reserves has led us to search for sodium-based battery materials in a new compositional series Na1.5Ln1.5TeO6. These display a range of unusual Na+ environments that facilitate fast Na+ conduction. The property makes these structures candidates for use in Na-based batteries. Our current understanding of the ion transport is limited by analysis of X-ray diffraction data and electron microscopy, which are both insensitive to the Na and oxide positions giving only a partial picture of the crystal structures. All these compounds form variations on the perovskite structure displaing cation (dis)order or other superstructures. Neutron diffraction is vital to build a complete picture of the cation coordination, cation ordering and oxide displacements that facilitate Na migration in these new materials.
DOI: 10.5286/isis.e/isis.e.rb2410507
title: Structure and solvation of Na(I) and Mg(II) in 1,2,3-trimethoxypropane a bio-derived electrolyte for metal-ion/metal-air batteries

description: 1,2,3-trimethoxypropane is a bio-derived, non-toxic potential alternative to synthetic glymes as components of electrolytes for batteries. This study aims to examine the solvation and coordination environments of sodium and magnesium ions - identified as targets for 'beyond lithium' batteries in this new polyether solvent to explore whether coordination is supportive of fast, or restricted, ion mobility.
DOI: 10.5286/isis.e/isis.e.rb2410507-1
title: Structure and solvation of Na(I) and Mg(II) in 1,2,3-trimethoxypropane a bio-derived electrolyte for metal-ion/metal-air batteries

description: 1,2,3-trimethoxypropane is a bio-derived, non-toxic potential alternative to synthetic glymes as components of electrolytes for batteries. This study aims to examine the solvation and coordination environments of sodium and magnesium ions - identified as targets for 'beyond lithium' batteries in this new polyether solvent to explore whether coordination is supportive of fast, or restricted, ion mobility.
DOI: 10.3535/ay4-emj-pda
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/q9e-n01-j1l
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2410052-2
title: Study of cold neutron extraction efficiency of the bi-spectral switch optics for the engineering ToF-diffractometer BEER at ESS.

description: The proposed study is focused on the characterization of the neutron optical element called “bi-spectral switch” for the engineering diffraction beamline BEER under construction at the ESS. BEER enables preferentially in-situ and in-operando neutron ToF-diffraction techniques for phase-, residual stress- and texture analysis on structural, technological relevant, engineering materials of a high symmetric crystalline structure. The bi-spectral switch is expected to increase the feed-in ratio of cold neutron fraction from the bi-spectral moderator of the ESS-source into the BEER-beamline. The characterization is targeting on the cost-benefit comparison of the bi-spectral switch in the application case. The costs here are the absorbed thermal neutron fraction when the device is placed in the beam to raise the extraction rate of the cold neutrons. The proposed characterization shall elucidate the degree of congruence between simulated and measured performance and enable a successful and time-critical installation of the device in the access-restricted bunker area of the ESS before first quarter of 2025.