cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2410644-1
title: An INS investigation on the effect of a steaming pretreatment of Fe-modified ZSM5 catalysts applied to xylene isomerisation reactions (TOSCA)

description: The global demand for p-xylene production is considerable, totalling 37 Mt in 2014. One production route involves the use of ZSM5 zeolites to affect the isomerisation of m-xylene to p-xylene. However, catalyst deactivation constitutes a significant impediment to the process operation. In partnership with a major catalyst manufacturer, this application seeks to use the TOSCA spectrometer to examine the effect of a steaming pretreatment on a series of new Fe-doped ZSM5 catalyst formulations under development by the industrial partner. The catalyst experiences steaming as part of the process operation, therefore post-reaction spectral acquisition will reveal, firstly, how steaming has affected the Brønsted acid site density of the samples and, secondly, speciate the form of retained hydrocarbon with respect to modifier concentration. INS is unique in being able to provide such molecular insight. This TOSCA application is linked to associated MAPS and LET proposals.
DOI: 10.5286/isis.e.rb2420515
title: Magnetic excitations and crystal field splitting study of Co2+ in the triangular lattice antiferromagnets: (Ca,Sr)3CoSb2O9

description: The Ca3CoSb2O9 and Sr3CoSb2O9 compounds are a model frustrated triangular-lattice compounds. The high frustration on a magnetic lattice may prevent the LRO leads to established QSL ground state. Both of proposed Co2+ compounds does not show any magnetic long-range ordering down to 2 K, however, both triangular-lattice Ca3CoSb2O9 and Sr3CoSb2O9 compounds shows high Curie-temperature of about -76 K and -121 K, respectively suggesting highly frustrated system. Moreover, the Co2+ ions in the distorted octahedral environment are expected to have an effective spin-1/2 due to spin-orbit coupled Karmers doublet ground state. This could be confirmed by measuring the crystal field excitations using an inelastic neutron scattering study at MARI/LTE beamline. The results of the proposed study will provide the direct information of the magnetic excitations which are crucial to understand the true ground state of both of the compounds.
DOI: 10.5286/isis.e.rb2420515-1
title: Magnetic excitations and crystal field splitting study of Co2+ in the triangular lattice antiferromagnets: (Ca,Sr)3CoSb2O9

description: The Ca3CoSb2O9 and Sr3CoSb2O9 compounds are a model frustrated triangular-lattice compounds. The high frustration on a magnetic lattice may prevent the LRO leads to established QSL ground state. Both of proposed Co2+ compounds does not show any magnetic long-range ordering down to 2 K, however, both triangular-lattice Ca3CoSb2O9 and Sr3CoSb2O9 compounds shows high Curie-temperature of about -76 K and -121 K, respectively suggesting highly frustrated system. Moreover, the Co2+ ions in the distorted octahedral environment are expected to have an effective spin-1/2 due to spin-orbit coupled Karmers doublet ground state. This could be confirmed by measuring the crystal field excitations using an inelastic neutron scattering study at MARI/LTE beamline. The results of the proposed study will provide the direct information of the magnetic excitations which are crucial to understand the true ground state of both of the compounds.
DOI: 10.15468/dl.74a4ph
title: Occurrence Download

description: A dataset containing 448 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Bidens frondosa L.",
 "Country is Romania",
 "HasCoordinate is true"
 ]
}

 The dataset includes 448 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0109274-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/p1l-vna-z6n
title: Rubia tenuifolia d'Urv.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220160
title: Negative muon spin rotation and relaxation study on a solid electrolyte material, Li3PO4

description: This proposal describes a negative muon spin rotation and relaxation (mu-SR) experiment on an electrode material in an all solid state Li-ion battery to confirm the diffusing species detected with a positive muon spin rotation and relaxation (mu+SR) technique. Although mu+SR has a unique power to observe the Li diffusion in an operating battery using the range of surface muons (about 200 mg/cm2), we need to confirm the diffusing species providing the mu+SR results. This is because the implanted positive muons in any material start to diffuse at high temperatures. Based on our mu-SR work, it is found that Li is diffusing in the three major cathode materials, i.e., an olivine, a spinel, and a layered rocksalt-type compounds. Then, we here to move on the solid electrolyte material Li3PO4 for establishing the future operando mu+SR technique in an all solid state Li-ion battery.
DOI: 10.5286/isis.e.rb2220160-1
title: Negative muon spin rotation and relaxation study on a solid electrolyte material, Li3PO4

description: This proposal describes a negative muon spin rotation and relaxation (mu-SR) experiment on an electrode material in an all solid state Li-ion battery to confirm the diffusing species detected with a positive muon spin rotation and relaxation (mu+SR) technique. Although mu+SR has a unique power to observe the Li diffusion in an operating battery using the range of surface muons (about 200 mg/cm2), we need to confirm the diffusing species providing the mu+SR results. This is because the implanted positive muons in any material start to diffuse at high temperatures. Based on our mu-SR work, it is found that Li is diffusing in the three major cathode materials, i.e., an olivine, a spinel, and a layered rocksalt-type compounds. Then, we here to move on the solid electrolyte material Li3PO4 for establishing the future operando mu+SR technique in an all solid state Li-ion battery.
DOI: 10.5286/isis.e.rb2410644
title: An INS investigation on the effect of a steaming pretreatment of Fe-modified ZSM5 catalysts applied to xylene isomerisation reactions (TOSCA)

description: The global demand for p-xylene production is considerable, totalling 37 Mt in 2014. One production route involves the use of ZSM5 zeolites to affect the isomerisation of m-xylene to p-xylene. However, catalyst deactivation constitutes a significant impediment to the process operation. In partnership with a major catalyst manufacturer, this application seeks to use the TOSCA spectrometer to examine the effect of a steaming pretreatment on a series of new Fe-doped ZSM5 catalyst formulations under development by the industrial partner. The catalyst experiences steaming as part of the process operation, therefore post-reaction spectral acquisition will reveal, firstly, how steaming has affected the Brønsted acid site density of the samples and, secondly, speciate the form of retained hydrocarbon with respect to modifier concentration. INS is unique in being able to provide such molecular insight. This TOSCA application is linked to associated MAPS and LET proposals.
DOI: 10.34816/ifao.archives.232784
title: SAQQARA_nb_1994_03318

description: Référence : nb_1994_03318<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/wss-446-s9r
title: Carrichtera annua (L.) DC.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410173-1
title: Small Angle Neutron Scattering to Probe Coking in Catalytic Biomass Conversion

description: Microporous materials, particularly zeolites (aluminosilicates) are widely used industrial solid-acid catalysts for bulk hydrocarbon transformations, including the methanol-to-olefin, fluid-catalysed cracking and dewaxing processes. More recently we have shown that zeolites, particularly Fe-doped ZSM-5 (FeZSM-5) have significant potential for converting biomass components (in this case Furan) into more valuable fuels. This represents a sustainable pathway for future fuel production from a renewable feedstock. Despite the exceptional activity of these systems, the aromatic nature of most biomass components means that under reaction conditions coke molecules rapidly form, limiting the catalytic lifetime. To improve this process, it is vital we understand the deactivation mechanism (coke formation) occurring in our process, this will lead to intelligent modifications in catalyst design. Primarily we will compare “Fresh FeZSM-5” with “Used FeZSM-5” to probe the location, and nature of coke, complementing our ongoing Raman and UV/Vis work. Specifically, we will compare “Used” samples where the Furan reagent is hydrogenous (h4-Furan) and deuterated (d4-Furan), varying the SLD of the coke phase, whilst the coke location is constant, aiding the model fitting, to understand the evolution of coke species.
DOI: 10.5286/isis.e.rb2410728
title: Structural modulation and magnetic diffuse scattering in a frustrated quasi-kagome lattice single crystal of CeRh0.9Pd0.1Sn

description: The kagome lattice CeRhSn exhibits quantum criticality (QCP) induced by geometrical frustration seen through the divergent behavior in the thermal expansion divided by temperature and Grüneisen ratio along the a-axis. Our single crystal SR and heat capacity studies of CeRh0.9Pd0.1Sn reveal a spin liquid behavior down to 50 mK and no long-range ordering. Further, our low energy inelastic neutron scattering on a polycrystalline sample of CeRh0.9Pd0.1Sn reveals well defined quasi-elastic scattering, which follows Energy by Temperature (E/T) scaling. We have recently investigated CeRh0.9Pd0.1Sn single crystal on the SIKA triple axis spectrometer at ANST, which reveals elastic Bragg peaks at incommensurate positions, Q=(±0.46, 0, 0.35) between2-25K, indicating superlattice formation in the crystal structure of CeRh0.9Pd0.1Sn. We, therefore, proposed here to investigate in detail the crystal structure and magnetic diffuse scattering in CeRh0.9Pd0.1Sn single crystal using SXD.
DOI: 10.5286/isis.e.rb2410728-1
title: Structural modulation and magnetic diffuse scattering in a frustrated quasi-kagome lattice single crystal of CeRh0.9Pd0.1Sn

description: The kagome lattice CeRhSn exhibits quantum criticality (QCP) induced by geometrical frustration seen through the divergent behavior in the thermal expansion divided by temperature and Grüneisen ratio along the a-axis. Our single crystal SR and heat capacity studies of CeRh0.9Pd0.1Sn reveal a spin liquid behavior down to 50 mK and no long-range ordering. Further, our low energy inelastic neutron scattering on a polycrystalline sample of CeRh0.9Pd0.1Sn reveals well defined quasi-elastic scattering, which follows Energy by Temperature (E/T) scaling. We have recently investigated CeRh0.9Pd0.1Sn single crystal on the SIKA triple axis spectrometer at ANST, which reveals elastic Bragg peaks at incommensurate positions, Q=(±0.46, 0, 0.35) between2-25K, indicating superlattice formation in the crystal structure of CeRh0.9Pd0.1Sn. We, therefore, proposed here to investigate in detail the crystal structure and magnetic diffuse scattering in CeRh0.9Pd0.1Sn single crystal using SXD.
DOI: 10.3535/h4n-qbq-mle
title: Valeriana L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/v71-qym-519
title: Carex L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410173
title: Small Angle Neutron Scattering to Probe Coking in Catalytic Biomass Conversion

description: Microporous materials, particularly zeolites (aluminosilicates) are widely used industrial solid-acid catalysts for bulk hydrocarbon transformations, including the methanol-to-olefin, fluid-catalysed cracking and dewaxing processes. More recently we have shown that zeolites, particularly Fe-doped ZSM-5 (FeZSM-5) have significant potential for converting biomass components (in this case Furan) into more valuable fuels. This represents a sustainable pathway for future fuel production from a renewable feedstock. Despite the exceptional activity of these systems, the aromatic nature of most biomass components means that under reaction conditions coke molecules rapidly form, limiting the catalytic lifetime. To improve this process, it is vital we understand the deactivation mechanism (coke formation) occurring in our process, this will lead to intelligent modifications in catalyst design. Primarily we will compare “Fresh FeZSM-5” with “Used FeZSM-5” to probe the location, and nature of coke, complementing our ongoing Raman and UV/Vis work. Specifically, we will compare “Used” samples where the Furan reagent is hydrogenous (h4-Furan) and deuterated (d4-Furan), varying the SLD of the coke phase, whilst the coke location is constant, aiding the model fitting, to understand the evolution of coke species.
DOI: 10.5286/isis.e.rb2410656-1
title: A spin liquid candidate composed of double-layer Ising triangular antiferromagnetic nets: DyNb7O19

description: DyNb7O19 contains well-separated bilayers of ideal triangular lattice nets and magnetic susceptibility data show no long-range ordering down to 2 K, making this an intriguing spin-liquid candidate material in which the coupling of the two nets in the bilayers adds a new feature. The goal of the experiment is to study the spin fluctuations in this compound and to use longitudinal field measurements to extract the spin correlations and understand the spin dynamics in detail.
DOI: 10.34816/ifao.archives.232785
title: SAQQARA_nb_1994_03326

description: Référence : nb_1994_03326<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/f90-mbn-qsb
title: Poa L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/q5z-khw-elm
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220344-3
title: The magnetic structure of FeSe superconductor under pressure

description: Magnetism is in general a key ingredient for high-Tc superconductors because the corresponding spin fluctuations could mediate electronic Cooper pairing. FeSe with a nematic order of 90 K exhibits Neel and stripe spin fluctuations with no magnetic phase transition at ambient pressure. The Tc of FeSe can be dramatically enhanced by hydrostatic pressure, accompanied by the development of a magnetic order above ~ 1.2 GPa. Determining the pressure-induced magnetic structure is thus of particular interest, while neutron diffraction measurements are still lacking due to techinal difficulties. Recent muSR study revealed the static magnetism in Fe(Se,S) at lower pressure of 0.6 GPa, we therefore propose a neutron powder diffraction experiment in the helium pressure cell. Our results will be crucial for elucidating the magnetism and its interplay with nematicity and superconductivity in FeSe.
DOI: 10.5286/isis.e.rb2410189-1
title: Total Scattering Investigations of Electrolytes for Li/S Batteries – Force Field Assessment of Li-Salt dependent sparingly solvating Electrolytes

description: This study aims to advance the understanding of electrolyte structures in Li/S batteries, specifically focusing on the characteristics and behaviors of sparingly solvating electrolytes. We previously identified a complex interplay between ion-ion and ion-solvent interactions using MD simulations and neutron total scattering. Our proposed experiment will leverage NIMROD's capabilities to analyze 24 specifically composed electrolyte samples. The goal is to validate the force field parameters derived from MD simulations and elucidate the nuanced solvation structures contributing to Li-ion transport and SEI formation. A deuteration request for d-DME is also proposed to enable a comprehensive analysis. The insights gained are expected to inform the optimization of Li/S batteries’ performance by addressing capacity fading issues rooted in lithium polysulfides solubility.
DOI: 10.5286/isis.e.rb2410656
title: A spin liquid candidate composed of double-layer Ising triangular antiferromagnetic nets: DyNb7O19

description: DyNb7O19 contains well-separated bilayers of ideal triangular lattice nets and magnetic susceptibility data show no long-range ordering down to 2 K, making this an intriguing spin-liquid candidate material in which the coupling of the two nets in the bilayers adds a new feature. The goal of the experiment is to study the spin fluctuations in this compound and to use longitudinal field measurements to extract the spin correlations and understand the spin dynamics in detail.
DOI: 10.5286/isis.e.rb2490191-1
title: Duplicate Of: Neutron diffraction studies of doped LiNiO2 powders
DOI: 10.3535/5xh-58a-ed2
title: Moraea sisyrinchium (L.) Ker Gawl.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220052-5
title: The NCS study of the hydrogen sub-lattice in molybdic acids

description: Our project seeks to elucidate the quantum state of protons confined within an interlamellar space of molybdic acids. As representatives of hydrated transition metal oxides, molybdic acids are known for their applicability as novel energy storage materials related to their pseudocapacitive ability. Neutron Compton scattering (NCS) will be used here to characterise proton momentum distributions and elucidate the shapes of the local potentials of the mean force and effective force-constant values of the protons.
DOI: 10.5286/isis.e.rb2410189
title: Total Scattering Investigations of Electrolytes for Li/S Batteries – Force Field Assessment of Li-Salt dependent sparingly solvating Electrolytes

description: This study aims to advance the understanding of electrolyte structures in Li/S batteries, specifically focusing on the characteristics and behaviors of sparingly solvating electrolytes. We previously identified a complex interplay between ion-ion and ion-solvent interactions using MD simulations and neutron total scattering. Our proposed experiment will leverage NIMROD's capabilities to analyze 24 specifically composed electrolyte samples. The goal is to validate the force field parameters derived from MD simulations and elucidate the nuanced solvation structures contributing to Li-ion transport and SEI formation. A deuteration request for d-DME is also proposed to enable a comprehensive analysis. The insights gained are expected to inform the optimization of Li/S batteries’ performance by addressing capacity fading issues rooted in lithium polysulfides solubility.
DOI: 10.5286/isis.e/isis.e.rb2190137-2
title: {XB2190137_1:6cis 1mM}_TRANS
DOI: 10.34816/ifao.archives.232786
title: SAQQARA_nb_1994_03335

description: Référence : nb_1994_03335<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/7nk-e9f-4td
title: Helianthemum salicifolium (L.) Mill.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ljc-r2v-jv8
title: Fibigia clypeata (L.) Medik.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220009
title: Internal dynamics of the NIST monoclonal antibody

description: Monoclonal antibodies (mAbs) bind very selectively to different antigens and mAbs are used as molecularly engineered pharmaceuticals in modern medicine. Excipients (buffers, salts or other cosolutes) are added to therapeutic mAb products to improve their stability, bioavailability and to achieve higher protein concentrations at low macroscopic viscosity. We suggest performing a QENS experiment on IRIS to study the effects of selected excipients on the molecular dynamics on the time-scale of around 100 ps of a reference mAb in solution. In our QENS experiment we would like to investigate the correlation between fast internal motions and slow collective domain motions that have been measured using high-resolution neutron spin-echo spectroscopy. For that purpose, we would like to apply for 7 days beam on IRIS.
DOI: 10.5286/isis.e.rb2220009-1
title: Internal dynamics of the NIST monoclonal antibody

description: Monoclonal antibodies (mAbs) bind very selectively to different antigens and mAbs are used as molecularly engineered pharmaceuticals in modern medicine. Excipients (buffers, salts or other cosolutes) are added to therapeutic mAb products to improve their stability, bioavailability and to achieve higher protein concentrations at low macroscopic viscosity. We suggest performing a QENS experiment on IRIS to study the effects of selected excipients on the molecular dynamics on the time-scale of around 100 ps of a reference mAb in solution. In our QENS experiment we would like to investigate the correlation between fast internal motions and slow collective domain motions that have been measured using high-resolution neutron spin-echo spectroscopy. For that purpose, we would like to apply for 7 days beam on IRIS.
DOI: 10.5286/isis.e.rb2490111-1
title: Crystal Fields of DyTa7O19
DOI: 10.3535/14p-hk5-k33
title: Campanula rapunculus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/bne-239-x1b
title: Microthlaspi perfoliatum (L.) F. K. Mey.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220336
title: Volume fraction profiles of Polyelectrolyte Brushes with tunable Macromolecular Architecture

description: Polyelectrolyte polymer brushes (PEBs) are densely end-tethered polymer chains that contain charged units. Depending on the pH and ionic strength these responsive layer can be swollen or collapsed. Though it's essential for their function the strong swelling inside brushes (due to coulombic stress and steric effects) generates a huge tension along the polymer backbone, causing instability and consequently de-grafting of PEBs from the substrate surface. In this proposal we will depth profile brush volume fraction, which is distinctly non-trivial when swollen and can take many possible functional forms (e.g error function, tanh). Importantly we will do this for a new class of stable charged polymer brushes and characterise the volume fraction profile of the main chain and pendant charged groups. We will gain insight into switchable polymer brushes and the physics of their interactions.
DOI: 10.5286/isis.e.rb2220336-1
title: Volume fraction profiles of Polyelectrolyte Brushes with tunable Macromolecular Architecture

description: Polyelectrolyte polymer brushes (PEBs) are densely end-tethered polymer chains that contain charged units. Depending on the pH and ionic strength these responsive layer can be swollen or collapsed. Though it's essential for their function the strong swelling inside brushes (due to coulombic stress and steric effects) generates a huge tension along the polymer backbone, causing instability and consequently de-grafting of PEBs from the substrate surface. In this proposal we will depth profile brush volume fraction, which is distinctly non-trivial when swollen and can take many possible functional forms (e.g error function, tanh). Importantly we will do this for a new class of stable charged polymer brushes and characterise the volume fraction profile of the main chain and pendant charged groups. We will gain insight into switchable polymer brushes and the physics of their interactions.
DOI: 10.5286/isis.e.rb2400011-1
title: A preliminary study of sodium diffusion within a molecular solid

description: This proposal focuses on studying sodium diffusion within a molecular material, with the hope of applying it to creating cheap and sustainable batteries. The beam time will be fully funded through the Business Innovation Directorate proof of concept fund.