cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2420485
title: Understanding the effect of surface coating and elemental doping on mitigating the decomposition of LiNiO2 and LiNi0.8Mn0.1Co0.1O2 cathode powders

description: LiNiO2 and LiNi0.8Mn0.1Co0.1O2 are promising cathode materials for next-generation high-energy-density Li-ion battery cathodes. However, their strong sensitivity to moisture and air prevents their industrial commercialisation. They react with H2O, CO2 and O2 under ambient conditions to form impurities such as LiOH and Li2CO3, which also leads to structural transitions in the parent material, thereby worsening their electrochemical performance. Therefore, these cathode materials are typically processed in dry rooms, which are expensive to maintain. Thus, reducing their sensitivity to ambient atmospheric conditions through either surface coating techniques or elemental doping, will make their processing simpler and cheaper, thereby directly facilitating their commercialisation. In this proposal, we intend to use in situ neutron diffraction studies to investigate whether these strategies can successfully mitigate the atmospheric degradation of these cathode materials. By following the structural transitions occurring in the parent and modified materials when heated under air through the in situ experiment, we will be able to gauge the utility of these techniques to improve the stability of these materials.
DOI: 10.21233/n3sb8n
title: Keith Bay pollen surface sample dataset

description: Raw data for the Keith Bay pollen surface sample dataset submitted to the Neotoma Paleoecology Database. Data is available through the landing page in JSON format. The landing page referenced by the DOI also contains links to publications and a map-based viewer for the dataset. The Neotoma Paleoecology Database maintains a homepage at https://www.neotomadb.org.
DOI: 10.34816/ifao.archives.232935
title: SAQQARA_nb_1994_05992

description: Référence : nb_1994_05992<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/dk5-dh8-gcy
title: Sisymbrium officinale (L.) Scop.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/lkp-w5a-m5z
title: Delphinium consolida subsp. consolida

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420528-1
title: Probing the mechanism of drug delivery by cyclic peptide-polymer nanotubes

description: Cyclic octapeptides containing residues with alternating D- and L- stereochemistry which are capable of self-assembling into so-called ‘nanotubes’ which can be further modified by the grafting of hydrophilic polymers, resulting in water-soluble cyclic peptide-polymer nanotubes (CPPNs) with additional functionalities imparted by polymer chains. Our current work involves the use of CPPNs as drug delivery vectors, where controlled assembly and disassembly and is required to tune drug uptake, release and bioavailability. In the case of mammalian cells, our initial studies indicate cellular uptake proceeds by means of adsorption to the cell surface and subsequent endocytosis, resulting in CPPNs encapsulated within low-pH lysosomes. In order to exploit the subcellular encapsulation of CPPNs, we have engineered their chemistry such that the stabilising polymers are removed by the low-pH conditions experiencced within the lysosome. One the polymers are removed, the cyclic peptide is highly efficient in membrane lysis leading to lysosomal escape and subsequent delivery to the cell cytoplasm. Here, we propose to use NR at the solid-liquid interface using mammalian model membranes to investigate multiple responsive CPPNs with different physicochemical properties to study the role of the cyclic peptide sequence in cell surface binding and lysosomal escape.
DOI: 10.5286/isis.e.rb2490288
title: Study on the crystal field effect of the honeycomb compound Ba2Ni(PO4)2
DOI: 10.5286/isis.e.rb2490288-1
title: Study on the crystal field effect of the honeycomb compound Ba2Ni(PO4)2
DOI: 10.3535/q23-3rb-vb4
title: Myosotis scorpioides L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/tef-p55-3kd
title: Centella asiatica (L.) Urb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420528
title: Probing the mechanism of drug delivery by cyclic peptide-polymer nanotubes

description: Cyclic octapeptides containing residues with alternating D- and L- stereochemistry which are capable of self-assembling into so-called ‘nanotubes’ which can be further modified by the grafting of hydrophilic polymers, resulting in water-soluble cyclic peptide-polymer nanotubes (CPPNs) with additional functionalities imparted by polymer chains. Our current work involves the use of CPPNs as drug delivery vectors, where controlled assembly and disassembly and is required to tune drug uptake, release and bioavailability. In the case of mammalian cells, our initial studies indicate cellular uptake proceeds by means of adsorption to the cell surface and subsequent endocytosis, resulting in CPPNs encapsulated within low-pH lysosomes. In order to exploit the subcellular encapsulation of CPPNs, we have engineered their chemistry such that the stabilising polymers are removed by the low-pH conditions experiencced within the lysosome. One the polymers are removed, the cyclic peptide is highly efficient in membrane lysis leading to lysosomal escape and subsequent delivery to the cell cytoplasm. Here, we propose to use NR at the solid-liquid interface using mammalian model membranes to investigate multiple responsive CPPNs with different physicochemical properties to study the role of the cyclic peptide sequence in cell surface binding and lysosomal escape.
DOI: 10.5286/isis.e.rb2510157
title: Hidden order in Ce3Co4Sn13

description: We propose a powder inelastic neutron scattering experiment on the Merlin instrument to measure changes in the energy transfer of excitations between the 3 Ce3+ Kramers doublets in Ce3Co4Sn13. These measurements will be made on warming through a low temperature specific heat anomaly, which must originate in a yet to be found ‘hidden order’. If successful, we will demonstrate that the low temperature phase transition of this puzzling system originates in quadrupolar order, which may persist while magnetic dipole order is suppressed by competing Ising-like single ion anisotropies.
DOI: 10.5286/isis.e.rb2510157-1
title: Hidden order in Ce3Co4Sn13

description: We propose a powder inelastic neutron scattering experiment on the Merlin instrument to measure changes in the energy transfer of excitations between the 3 Ce3+ Kramers doublets in Ce3Co4Sn13. These measurements will be made on warming through a low temperature specific heat anomaly, which must originate in a yet to be found ‘hidden order’. If successful, we will demonstrate that the low temperature phase transition of this puzzling system originates in quadrupolar order, which may persist while magnetic dipole order is suppressed by competing Ising-like single ion anisotropies.
DOI: 10.34816/ifao.archives.232936
title: SAQQARA_nb_1994_05993

description: Référence : nb_1994_05993<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/18s-5v0-4ys
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2490313-1
title: Temperature-dependence of dynamics in Na beta''-alumina
DOI: 10.5286/isis.e.rb2510686
title: Crystal field excitations and spin wave studies of competing zigzag chain antiferromagnet: CaCoP2O7

description: Low-dimensional quantum magnets have always been interesting candidates for their interesting magnetic excitations and exotic ground states. Here, we have grown a new Kramer active Co2+ Jeff –½, 1D-zigzag chain compound CaCoP2O7 via the optical floating zone (OFZ) method. The crystal has triclinic crystal system with P-1 space group. As grown crystals phase purity, crystalline quality, and anisotropy have been probed via powder x-ray diffraction, Laue-diffraction, and magnetization measurements. Thermodynamic data suggest CaCoP2O7 has a long-range magnetic ordering at TN = 6.6 K and the inverse susceptibility on this compound reveals effective moment eff = 5.09 B. We confirmed the spin state is found to be pseudo spin-1/2 state by using Bonner-Fisher spin-1/2 1D chain model fit, which reveals nearest neighbor (NN) interactions J = 7.45 K and higher g value as g = 4 indicating that the magnetic lattice in CaCoP2O7 has huge anisotropy. Here we proposed to investigate CEF and spin wave using MERLIN in CaCoP2O7.
DOI: 10.5286/isis.e.rb2510686-1
title: Crystal field excitations and spin wave studies of competing zigzag chain antiferromagnet: CaCoP2O7

description: Low-dimensional quantum magnets have always been interesting candidates for their interesting magnetic excitations and exotic ground states. Here, we have grown a new Kramer active Co2+ Jeff –½, 1D-zigzag chain compound CaCoP2O7 via the optical floating zone (OFZ) method. The crystal has triclinic crystal system with P-1 space group. As grown crystals phase purity, crystalline quality, and anisotropy have been probed via powder x-ray diffraction, Laue-diffraction, and magnetization measurements. Thermodynamic data suggest CaCoP2O7 has a long-range magnetic ordering at TN = 6.6 K and the inverse susceptibility on this compound reveals effective moment eff = 5.09 B. We confirmed the spin state is found to be pseudo spin-1/2 state by using Bonner-Fisher spin-1/2 1D chain model fit, which reveals nearest neighbor (NN) interactions J = 7.45 K and higher g value as g = 4 indicating that the magnetic lattice in CaCoP2O7 has huge anisotropy. Here we proposed to investigate CEF and spin wave using MERLIN in CaCoP2O7.
DOI: 10.34816/ifao.archives.232937
title: SAQQARA_nb_1994_05994

description: Référence : nb_1994_05994<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/0qn-ft5-e2w
title: Rosa multiflora Thunb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/rwl-9t7-b4s
title: Triticum aestivum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510611
title: Investigation of the magnetic ground state of a halide perovskite heterostructure.

description: The halide perovskite heterostructure (CuCl4)2(MTPA)4Cu3Cl6 (Cu_Cu; MTPA = 3-(methylthio)-propylammonium) forms from solution as single crystals consisting of alternating layers of 2D CuII-Cl perovskite and 1D CuII-Cl diamond–chain intergrowth. Using magnetometry, heat capacity, and electron paramagnetic resonance measurements, we have interrogated the magnetic ordering of the 2D perovskite layer and the 1D intergrowth layer at temperatures down to 55 mK. No long–range magnetic ordering event in the intergrowth is evident, suggesting that, due to the geometric constraints imposed by the perovskite framework, individual diamond chains in the intergrowth of Cu_Cu are magnetically isolated from one another. In contrast, comparable motifs in well–studied diamond spin chain materials such as azurite do not show magnetic 1D character at low temperatures due to interchain contacts in the solid state. As such, Cu_Cu provides an ideal platform for studying isolated, anisotropic spin chains. This material illustrates the capability of halide perovskite heterostructures to serve as vehicles for the scalable synthesis of complex multi–layered magnetic materials. A heat capacity anomaly at 0.3 K suggests some local spin pairing in Cu_Cu. We aim to use muon spin relaxation measurements above and below this temperature to conclusively demonstrate a lack of long-range magnetic ordering, which would be consistent with our proposal of a 1D Heisenberg spin chain ground state in the intergrowth.
DOI: 10.5286/isis.e.rb2510611-1
title: Investigation of the magnetic ground state of a halide perovskite heterostructure.

description: The halide perovskite heterostructure (CuCl4)2(MTPA)4Cu3Cl6 (Cu_Cu; MTPA = 3-(methylthio)-propylammonium) forms from solution as single crystals consisting of alternating layers of 2D CuII-Cl perovskite and 1D CuII-Cl diamond–chain intergrowth. Using magnetometry, heat capacity, and electron paramagnetic resonance measurements, we have interrogated the magnetic ordering of the 2D perovskite layer and the 1D intergrowth layer at temperatures down to 55 mK. No long–range magnetic ordering event in the intergrowth is evident, suggesting that, due to the geometric constraints imposed by the perovskite framework, individual diamond chains in the intergrowth of Cu_Cu are magnetically isolated from one another. In contrast, comparable motifs in well–studied diamond spin chain materials such as azurite do not show magnetic 1D character at low temperatures due to interchain contacts in the solid state. As such, Cu_Cu provides an ideal platform for studying isolated, anisotropic spin chains. This material illustrates the capability of halide perovskite heterostructures to serve as vehicles for the scalable synthesis of complex multi–layered magnetic materials. A heat capacity anomaly at 0.3 K suggests some local spin pairing in Cu_Cu. We aim to use muon spin relaxation measurements above and below this temperature to conclusively demonstrate a lack of long-range magnetic ordering, which would be consistent with our proposal of a 1D Heisenberg spin chain ground state in the intergrowth.
DOI: 10.5286/isis.e.rb2590100-1
title: A-site cation ordering in BaNd0.3Tb0.7Ga3O7
DOI: 10.3535/emz-by3-y0y
title: Crataegus oxyacantha L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/yyb-gns-39j
title: Crataegus monogyna Jacq.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2490315-1
title: Gapped excitations in a zigzag chain compound YbAgSe2
DOI: 10.5286/isis.e.rb2510553
title: Muon Spin Relaxation Study of the Complex Magnetic Ground States of a Ruthenate Dimer System

description: The compound Ba3HoRu2O9 is only Ru(4d)-based compound which exhibits spin-driven ferroelectricity. The magnetic ground state is quite intriguing. The compound magnetically orders at 50 K (TN1), where both the Ho and Ru moments initiate their ordering, followed by another magnetic phase transition at 10 K (TN2). The spin-driven ferroelectric polarisation is demonstrated below TN2 due to strong Ru(4d)-Ho(4f) coupling. We observe frequency dependence behaviour in dielectric measurements (10-500 kHz), whereas, such frequency dependence behaviour is absent in ac magnetic susceptibility (1Hz-1kHz). Being a spin-driven ferroelectric system, the spin and dipole moments are intertwined. Therefore, dipolar relaxation is expected to be linked to spin relaxation. µSR is an ideal tool to investigate such spin-relaxation phenomena, particularly considering the response of magnetic domains to higher frequency regimes (&gt; 1 kHz). Additionally, our research aims to explore the relatively weak cooperative magnetic ordering at TN1 (50 K) and the nature of short-range ordering (SRO) far above TN1. Furthermore, longitudinal-field (LF) µSR experiments will provide valuable insights into the magnitude of the internal magnetic field at the specific muon-stopping site within the compound. The capabilities of the EMU (or HIFI) instrument are ideal for conducting these experiments, providing valuable insights into the compound's magnetic properties and magnetic (thus, magnetoelectric) domain dynamics.
DOI: 10.5286/isis.e.rb2510553-1
title: Muon Spin Relaxation Study of the Complex Magnetic Ground States of a Ruthenate Dimer System

description: The compound Ba3HoRu2O9 is only Ru(4d)-based compound which exhibits spin-driven ferroelectricity. The magnetic ground state is quite intriguing. The compound magnetically orders at 50 K (TN1), where both the Ho and Ru moments initiate their ordering, followed by another magnetic phase transition at 10 K (TN2). The spin-driven ferroelectric polarisation is demonstrated below TN2 due to strong Ru(4d)-Ho(4f) coupling. We observe frequency dependence behaviour in dielectric measurements (10-500 kHz), whereas, such frequency dependence behaviour is absent in ac magnetic susceptibility (1Hz-1kHz). Being a spin-driven ferroelectric system, the spin and dipole moments are intertwined. Therefore, dipolar relaxation is expected to be linked to spin relaxation. µSR is an ideal tool to investigate such spin-relaxation phenomena, particularly considering the response of magnetic domains to higher frequency regimes (&gt; 1 kHz). Additionally, our research aims to explore the relatively weak cooperative magnetic ordering at TN1 (50 K) and the nature of short-range ordering (SRO) far above TN1. Furthermore, longitudinal-field (LF) µSR experiments will provide valuable insights into the magnitude of the internal magnetic field at the specific muon-stopping site within the compound. The capabilities of the EMU (or HIFI) instrument are ideal for conducting these experiments, providing valuable insights into the compound's magnetic properties and magnetic (thus, magnetoelectric) domain dynamics.
DOI: 10.34816/ifao.archives.232938
title: SAQQARA_nb_1994_05995

description: Référence : nb_1994_05995<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/14a-3hv-tr3
title: Poa nemoralis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/8jd-edc-aaf
title: Triticum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2490315
title: Gapped excitations in a zigzag chain compound YbAgSe2
DOI: 10.5286/isis.e.rb2510105
title: Comparison of Lattice Vibrations in Delithiated LCO and LNO

description: This application aims to map Ni/Co phonon modes in delithiated lithium-ion battery cathode materials, specifically delithiated LiCoO2 (LCO) and LiNiO2 (LNO), to determine which modes are responsible for transition metal mobility hence cathode instability. Lithium-ion batteries that have high energy densities are crucial for the shift to electric vehicles, but their capacity is approaching a ceiling. Increasing capacity involves substituting the Co content in the cathode for Ni. Recently published work from our group suggested that in the Ni-rich archetype LiNiO2 cathode, irreversible phase transitions happens due to transition metal migration upon delithiation. At 4.1V vs. Li+/Li, LNO undergoes a transition from an H2 to an H3 phase, leading to antisite disorder between the Li and Ni. At 4.3V and above, the Li in the structure will be extracted fully and anionic redox will dominate. Ni then migrates from the fully dense transition metal layer and accumulates at the surface of the particles, leaving vacancies on the transition metal site. This reduces the performance of LiNiO2. This is not observed with LiCoO2 which also has better battery cycling stability.
To investigate Ni's mobility compared to Co's, we propose using inelastic neutron scattering to observe Ni phonon modes across a wide temperature range. This study will address the lack of INS data on cathode materials and contribute foundational insights into layered cathode behaviour.
DOI: 10.5286/isis.e.rb2510105-1
title: Comparison of Lattice Vibrations in Delithiated LCO and LNO

description: This application aims to map Ni/Co phonon modes in delithiated lithium-ion battery cathode materials, specifically delithiated LiCoO2 (LCO) and LiNiO2 (LNO), to determine which modes are responsible for transition metal mobility hence cathode instability. Lithium-ion batteries that have high energy densities are crucial for the shift to electric vehicles, but their capacity is approaching a ceiling. Increasing capacity involves substituting the Co content in the cathode for Ni. Recently published work from our group suggested that in the Ni-rich archetype LiNiO2 cathode, irreversible phase transitions happens due to transition metal migration upon delithiation. At 4.1V vs. Li+/Li, LNO undergoes a transition from an H2 to an H3 phase, leading to antisite disorder between the Li and Ni. At 4.3V and above, the Li in the structure will be extracted fully and anionic redox will dominate. Ni then migrates from the fully dense transition metal layer and accumulates at the surface of the particles, leaving vacancies on the transition metal site. This reduces the performance of LiNiO2. This is not observed with LiCoO2 which also has better battery cycling stability.
To investigate Ni's mobility compared to Co's, we propose using inelastic neutron scattering to observe Ni phonon modes across a wide temperature range. This study will address the lack of INS data on cathode materials and contribute foundational insights into layered cathode behaviour.
DOI: 10.3535/gwr-cml-kzt
title: Polygonatum verticillatum (L.) All.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xcn-pxz-whh
title: Gagea pratensis (Pers.) Dumort.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420206-2
title: Searching for evidence of gapped quantum spin liquid state in a Shastry-Sutherland magnet Yb2Be2GeO7

description: Gapped or gapless is important to distinguish between different types of quantum spin liquids. While a gap is vital for the quantum computations, its presence in the quantum spin liquid candidates is relatively rare. Here, we show the possible existence of a small gap in a Shastry-Sutherland magnet, which may also possess a quantum spin liquid disordered state. In order to detect the small gap, as well as an excitation continuum, we propose to perform inelastic neutron scattering measurements on the LET spectrometer equipped with a dilution refrigeration and 9 T magnet.
DOI: 10.5286/isis.e.rb2420501
title: Electrochemically switched ion-exchange of fluoride into polyaniline films

description: We will determine spatially and temporally resolved profiles of fluoride during electrochemically driven ion-exchange into/out of polyaniline films, using event mode NR. The data will provide insight into structural limitations on capacity and film response rate. They will extend nanogravimetric (EQCM) data revealing opposing fluoride and solvent fluxes in response to applied potential, rationalise asymmetry of ion entry/exit rates, and distinguish moving front vs pore-based ion transport mechanisms. The outcomes will be relevant to design of systems for high fluoride remediation of natural waters.
DOI: 10.5286/isis.e.rb2420501-1
title: Electrochemically switched ion-exchange of fluoride into polyaniline films

description: We will determine spatially and temporally resolved profiles of fluoride during electrochemically driven ion-exchange into/out of polyaniline films, using event mode NR. The data will provide insight into structural limitations on capacity and film response rate. They will extend nanogravimetric (EQCM) data revealing opposing fluoride and solvent fluxes in response to applied potential, rationalise asymmetry of ion entry/exit rates, and distinguish moving front vs pore-based ion transport mechanisms. The outcomes will be relevant to design of systems for high fluoride remediation of natural waters.
DOI: 10.3535/590-0y2-bly
title: Convallaria majalis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.