cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2310407-2
title: Interfacial Structures of Dye-Sensitized Solar Cell Working Electrodes

description: The transparent and low-cost nature of dye-sensitised solar cells (DSCs) affords them niche prospects for electricity-generating windows in buildings for energy-sustainable future cities. Despite their vast industrial potential, innovation is being held up by a lack of suitable dyes. Better dyes can only be realised if we can better understand how the dye...TiO2 interface of a working electrode in a DSC functions at the molecular level. To this end, we propose to exploit neutron contrast matching through selective deuteration to study the interfacial structure (dye adsorption modes, interdye separation and dye/TiO2 tilt angles) of self-assembled dyes on TiO2 surfaces to uncover the structural origin of the photovoltaic enhancement of the associated device. We will study five dye...TiO2 working electrodes, where the dye is one of five commercially-used Ru-basedorganometallic complexes.
DOI: 10.3535/ldf-yqw-2lz
title: Myrceugenia chrysocarpa (O. Berg) Kausel

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/wvf-vwv-0n5
title: Luma chequen (Molina) A. Gray

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220187
title: Exploring the formation of ethoxy species in microporous solid-acid catalysts
DOI: 10.5286/isis.e.rb2220303-5
title: Characterization of nanoparticles diluted in a solvent employed for the development of nanoscintillator detectors
DOI: 10.5286/isis.e.rb2310196-2
title: Determining the location of the low temperature termination of the Frenkel line on the phase diagram

description: A remarkable and unexpected feature about the Frenkel line as proposed in 2012 is the fact that it demarcates regions on the phase diagram where some fluid properties exhibit liquid-like versus gas-like behaviour, yet does not pass through the critical point. Instead it was proposed to cross the critical temperature at (roughly) 3x the critical density then trend to lower density upon temperature decrease and intersect the vapour pressure curve at 0.75 – 0.8Tc. Whilst experimental works have focussed on the supercritical region, the theoretical proposal that the Frenkel line intersects the vapour pressure curve at 0.75 – 0.8Tc has been challenged by an alternate proposal (from classical molecular dynamics simulations, using nitrogen as an example) that it continues to the vicinity of the triple point. Here, we are therefore making the case for an experiment on subcritical fluid nitrogen at 90 K (0.71Tc) to discover in what region of the Pressure-temperature (P,T) phase diagram the low P,T termination of the Frenkel line lies.
DOI: 10.3535/6rn-mps-wk5
title: Campsidium valdivianum Skottsb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/wcc-ttx-1tt
title: Nothofagus dombeyi (Mirb.) Oerst.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310258-1
title: Evolution of the structure of lamellar gel networks based on fatty alcohols and cationic surfactants during cooling and shearing

description: Long chain fatty alcohols (FAs) are amphiphilic molecules commonly associated to surfactants in aqueous solution to produce cosmetic and pharmaceutical cream products. In appropriate concentration, the addition of surfactants to long chain fatty alcohols leads to the formation of lamellar gel networks (LGNs) at the origin of the creamy texture. The ternary system leads to lamellar structure forming a percolated network giving rise to a gel. The rheological properties of the cream result from a preparation process combining shearing, heating and cooling steps. Therefore, the cooling step and shearing rate are the two crucial parameters governing the resulting rheological properties of the cream. Despite much research into the properties of creams and their many years of use, however, a perfect understanding on the nanoscale that is to say on the morphology, size, and composition of the lamellar structures during the cooling and shearing process is still not known. This can be probed directly through rheo-SANS, because of the high contrast achieved by using protonated fatty alcohols and surfactant formulated with D2O with a precise control in temperature.
DOI: 10.5286/isis.e.rb2310611
title: Investigation of hydrogen speciation during selective acetylene hydrogenation over interstitial Pd carbide catalysts

description: Supported Pd nanoparticles (NPs) are used widely for their ability to act as highly active hydrogenation and oxidation catalysts. The evolving nature of Pd NPs during these processes is becoming ever more apparent; interstitial hydride, carbide, and (most recently) nitride phases have all been documented during catalysis. These interstitial structures form readily during catalytic transformations and play a crucial role in determining both activity and selectivity. Here we want to probe the interaction between hydrogen and the Pd carbide in order to further our understanding of their ability to promote selective hydrogenation reactions, with the aim of using pre-prepared PdCx catalysts for use in reactions where they would not form in situ.
DOI: 10.5286/isis.e.rb2310611-1
title: Investigation of hydrogen speciation during selective acetylene hydrogenation over interstitial Pd carbide catalysts

description: Supported Pd nanoparticles (NPs) are used widely for their ability to act as highly active hydrogenation and oxidation catalysts. The evolving nature of Pd NPs during these processes is becoming ever more apparent; interstitial hydride, carbide, and (most recently) nitride phases have all been documented during catalysis. These interstitial structures form readily during catalytic transformations and play a crucial role in determining both activity and selectivity. Here we want to probe the interaction between hydrogen and the Pd carbide in order to further our understanding of their ability to promote selective hydrogenation reactions, with the aim of using pre-prepared PdCx catalysts for use in reactions where they would not form in situ.
DOI: 10.3535/fn4-zhm-b48
title: Geranium purpureum Vill.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220222
title: Control of strain disorder through doping praseodymium zirconate
DOI: 10.5286/isis.e.rb2220222-1
title: Control of strain disorder through doping praseodymium zirconate
DOI: 10.5286/isis.e.rb2310258
title: Evolution of the structure of lamellar gel networks based on fatty alcohols and cationic surfactants during cooling and shearing

description: Long chain fatty alcohols (FAs) are amphiphilic molecules commonly associated to surfactants in aqueous solution to produce cosmetic and pharmaceutical cream products. In appropriate concentration, the addition of surfactants to long chain fatty alcohols leads to the formation of lamellar gel networks (LGNs) at the origin of the creamy texture. The ternary system leads to lamellar structure forming a percolated network giving rise to a gel. The rheological properties of the cream result from a preparation process combining shearing, heating and cooling steps. Therefore, the cooling step and shearing rate are the two crucial parameters governing the resulting rheological properties of the cream. Despite much research into the properties of creams and their many years of use, however, a perfect understanding on the nanoscale that is to say on the morphology, size, and composition of the lamellar structures during the cooling and shearing process is still not known. This can be probed directly through rheo-SANS, because of the high contrast achieved by using protonated fatty alcohols and surfactant formulated with D2O with a precise control in temperature.
DOI: 10.3535/83c-4tk-8ys
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/vmt-yqd-yng
title: Gnaphalium L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310676-1
title: Shedding light on the authenticity of the tridentinosaurus antiquus

description: Tridentinosaurus antiquus (Leonardi 1959) represents one of the oldest reptile fossils and one of the very few skeletal remains of this geological age found in the Italian Alps. Most of the skeletal elements (e.g., the vertebral column, ribs and pelvic and shoulder girdles) seems to be embedded within the rock matrix, while a dark paint highlight the body outline. This seems to be an artefact, possibly a paint derived from the pigment known as “bone black”. The somewhat strange preservation and appearance of the fossil have puzzled palaeontologists for decades and its taphonomy is, to this date, unresolved. With this proposal we aim to investigate the presence, completeness and articulation of the skeleton of T. antiquus to shed light on its authenticity and taphonomic history.
DOI: 10.5286/isis.e.rb2390124
title: Assessing Neutron Radiography Contrast for Dentin Fluid Flow Detection: A Preliminary Experimental Study
DOI: 10.5286/isis.e.rb2390124-1
title: Assessing Neutron Radiography Contrast for Dentin Fluid Flow Detection: A Preliminary Experimental Study
DOI: 10.3535/5jc-y6z-chv
title: Embothrium coccineum J. R. Forst. & G. Forst.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/fvz-6d8-8pq
title: Senecio calocephalus C. C. Chang

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310597
title: Fractal assembly of semiconducting polymers

description: Semiconducting polymers are becoming ubiquitous across a diverse range of applications spaces from photovoltaics to water splitting to bioelectronics. In all avenues control of the nanomorphology is critical to elevating material performance yet most systems remain disordered. Here we investigate the remarkable phenomenon of controllable fractal assembly in semiconducting polymer systems.
DOI: 10.5286/isis.e.rb2310597-1
title: Fractal assembly of semiconducting polymers

description: Semiconducting polymers are becoming ubiquitous across a diverse range of applications spaces from photovoltaics to water splitting to bioelectronics. In all avenues control of the nanomorphology is critical to elevating material performance yet most systems remain disordered. Here we investigate the remarkable phenomenon of controllable fractal assembly in semiconducting polymer systems.
DOI: 10.5286/isis.e.rb2310676
title: Shedding light on the authenticity of the tridentinosaurus antiquus

description: Tridentinosaurus antiquus (Leonardi 1959) represents one of the oldest reptile fossils and one of the very few skeletal remains of this geological age found in the Italian Alps. Most of the skeletal elements (e.g., the vertebral column, ribs and pelvic and shoulder girdles) seems to be embedded within the rock matrix, while a dark paint highlight the body outline. This seems to be an artefact, possibly a paint derived from the pigment known as “bone black”. The somewhat strange preservation and appearance of the fossil have puzzled palaeontologists for decades and its taphonomy is, to this date, unresolved. With this proposal we aim to investigate the presence, completeness and articulation of the skeleton of T. antiquus to shed light on its authenticity and taphonomic history.
DOI: 10.15468/dl.9qyczm
title: Occurrence Download

description: A dataset containing 3168 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((110.92025 39.82408,111.99598 39.82408,111.99598 40.85164,110.92025 40.85164,110.92025 39.82408))",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 3168 records from 43 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0109243-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/3h9-ekf-rh9
title: Maytenus magellanica (Lam.) Hook. fil.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ye7-p6e-n7d
title: Alstroemeria aurea Graham

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220499-1
title: Resolving local lattice distortions in a refractory high entropy alloy
DOI: 10.5286/isis.e.rb2310533-2
title: Plastic Waste-Derived Carbon and Tin-Carbon Anodes for Sodium Ion Batteries

description: The current anode of choice for Na-ion batteries is hard carbons, normally produced from biomass waste. To access higher capacities, it is a common strategy to incorporate Sn phases in anodes as the theoretical capacity of Sn is 874 mAh/g (for Na15Sn4) compared to ~300mAh/g for hard carbons. The carbon phase microstructure affects the electrochemistry and the alloying mechanism of the Sn phase. To explore the effect of compositing SnO2 with carbon here we propose to study the Sn/C materials prepared at different carbonisation temperatures. We want to understand how the interactions between both phases evolves as carbonisation proceeds. The aim of this experiment is to examine the pore and atomic structure of carbon from the plastic-waste sample and Sn-PET sample. Furthermore, this route will allow us to understand how the formation of the amorphous carbon on the Sn phase at each temperature.
DOI: 10.3535/c6p-w09-8et
title: Taraxacum glaucolivaceum Kirschner & Stepánek

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/qzx-qxp-vqm
title: Dasyphyllum Kunth

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220499
title: Resolving local lattice distortions in a refractory high entropy alloy
DOI: 10.5286/isis.e.rb2300069-2
title: DM Xpress – Mesoscale Assembly in Porous Liquids

description: Porous liquids are a class of materials that combine fluidity with some of the properties of microporous solids, such as high and selective uptake of other molecules. Porosity in a liquid can be achieved by the dissolution of porous organic cages at high concentrations in solvents whose molecular constituents are too large to occupy their pores. Typically, these systems are reported and studied as isotropic, unordered liquids, but in an attempt to understand the structure of these cage-based porous liquids by combining neutron diffraction experiments with molecular dynamics simulations, we have found evidence of cage aggregation and the subsequent formation of a branched 3-dimensional network consistent with a mass fractal. Subsequent studies of the birefringence in these liquids using polarising optical microscopy to investigate the formation of ordered phases, has led us to now further understand that their formation is highly sensitive with birefringence indicative of longer range ordering typically observed after 4-14 days. Therefore, to finalise a drafted manuscript for publication, we propose to repeat the neutron scattering experiment on a freshly prepared sample of the previously studied porous liquid to definitively confirm the presence of the mass fractal in the studied porous liquid.
DOI: 10.5286/isis.e.rb2310178-2
title: Exploring the origin of low thermal conductivity in thermoelectric Cu2ZnGeSe4

description: Diamond-like quaternary chalcogenides, including Cu2ZnGeSe4, are attracting considerable interest for their potential as absorbers for solar cells and for thermoelectric energy recovery. Cu2ZnGeSe4 exhibits an electronic transition at 473 K. Analysis of variable-temperature neutron diffraction data has revealed that an order-disorder transition, accompanied by the onset of copper ion mobility, occurs at this temperature. This transition results in a significant reduction in the lattice thermal conductivity of Cu2ZnGeSe4. Here, we seek to gain a better understanding of the effect of copper ionic mobility on the lattice thermal conductivity and the vibrational phonon modes of this material.
DOI: 10.3535/7kg-rmd-shx
title: Macrachaenium gracile Hook. fil.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310178
title: Exploring the origin of low thermal conductivity in thermoelectric Cu2ZnGeSe4

description: Diamond-like quaternary chalcogenides, including Cu2ZnGeSe4, are attracting considerable interest for their potential as absorbers for solar cells and for thermoelectric energy recovery. Cu2ZnGeSe4 exhibits an electronic transition at 473 K. Analysis of variable-temperature neutron diffraction data has revealed that an order-disorder transition, accompanied by the onset of copper ion mobility, occurs at this temperature. This transition results in a significant reduction in the lattice thermal conductivity of Cu2ZnGeSe4. Here, we seek to gain a better understanding of the effect of copper ionic mobility on the lattice thermal conductivity and the vibrational phonon modes of this material.
DOI: 10.5286/isis.e.rb2320037
title: Exploring Magnetic Excitations in a Metal-Organic Framework Quantum Spin Liquid Candidate

description: An outstanding challenge in modern-day materials research is the unambiguous experimental realisation of a quantum spin liquid. From a theoretical perspective, an ideal host in which to explore quantum spin liquid physics is the S = ½ kagome antiferromagnet. Experimentally, realisations of this model have been explored extensively in inorganic mineral materials whose structures contain kagome arrays of Cu(II) S = ½ ions. However, a key challenge in these materials is the presence of site disorder, which obstructs the experimental characterisation of their intrinsic magnetic ground states. Here we present the metal-organic framework Cu3(C6O6)2 as an extremely promising new quantum spin liquid candidate, based on its structure of two-dimensional S = 1/2 kagome layers that are free from site disorder. We propose to explore its magnetic ground state and excitations by inelastic neutron scattering on LET.
DOI: 10.5286/isis.e.rb2320037-1
title: Exploring Magnetic Excitations in a Metal-Organic Framework Quantum Spin Liquid Candidate

description: An outstanding challenge in modern-day materials research is the unambiguous experimental realisation of a quantum spin liquid. From a theoretical perspective, an ideal host in which to explore quantum spin liquid physics is the S = ½ kagome antiferromagnet. Experimentally, realisations of this model have been explored extensively in inorganic mineral materials whose structures contain kagome arrays of Cu(II) S = ½ ions. However, a key challenge in these materials is the presence of site disorder, which obstructs the experimental characterisation of their intrinsic magnetic ground states. Here we present the metal-organic framework Cu3(C6O6)2 as an extremely promising new quantum spin liquid candidate, based on its structure of two-dimensional S = 1/2 kagome layers that are free from site disorder. We propose to explore its magnetic ground state and excitations by inelastic neutron scattering on LET.
DOI: 10.3535/y4r-k2a-lbw
title: Macrachaenium Hook.f.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/z2w-q3m-z58
title: Senecio kingii Hook. fil.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2390129
title: Magnetic excitations of Ho2O3
DOI: 10.5286/isis.e.rb2390129-1
title: Magnetic excitations of Ho2O3
DOI: 10.3535/dsb-5pv-6t5
title: Nigella arvensis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xta-xr5-x7y
title: Nigella arvensis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2300026-1
title: Tunable Anomalous Hall Effect in Non-collinear Antiferromagnetic Mn3NiN Thin Films

description: We propose neutron diffraction measurements on high-quality epitaxial Mn3NiN films to validate the link between subtle changes in antiferromagnetic structure and large changes in the electronic sector as evidenced by the anomalous Hall effect. Confirmation of this mechanism will spur the emergence of a new platform for highly-efficient spintronic devices.
DOI: 10.5286/isis.e.rb2310693
title: Temperature depedent crystal strcture to study Ni-Ni dimerization in a one-dimensional PbCd2Ni6Te3O18

description: Recently one-dimensional (1D) spin-chain systems have attracted considerable attention due to the possibility of Haldane gap formation for an integer spin system. The compounds PbCd2Ni6Te3O18 (M = Cd and Mn), having quasi-1D chains of Ni2+ (S=1) and Mn2+ (S=5/2) in their crystal structure, exhibit remarkably interesting magnetic properties. The susceptibility reveals an antiferromagnetic ordering at 25.7 K for M = Cd and 86.0 K for M = Mn. Further, the heat capacity measurements also support the AFM magnetic ground state in both compounds. Interestingly, the susceptibility of M = Cd exhibits a broad maximum at 45 K, which is above TN=25.7 K, indicating the formation of Ni-Ni dimers. Recently we have investigated the magnetic behaviour of a polycrystalline sample of PbCd2Ni6Te3O18 (with Cd-114) using the WISH beam line (RB2210365) at 2 K and we find an AFM ordering with propagation vector (1/3 1/3 0) with the Ni-moments along the c-axis. What is missing is the information on the temperature dependent crystal structure, i.e., Ni-Ni bond lengths/angles of PbCd2Ni6Te3O18 to study the effect of Ni-Ni dimer formation. We therefore propose to investigate temperature dependence of the crystal structure of PbCd2Ni6Te3O18 using the high-resolution neutron powder diffractometer (HRPD).
DOI: 10.5286/isis.e.rb2310693-1
title: Temperature depedent crystal strcture to study Ni-Ni dimerization in a one-dimensional PbCd2Ni6Te3O18

description: Recently one-dimensional (1D) spin-chain systems have attracted considerable attention due to the possibility of Haldane gap formation for an integer spin system. The compounds PbCd2Ni6Te3O18 (M = Cd and Mn), having quasi-1D chains of Ni2+ (S=1) and Mn2+ (S=5/2) in their crystal structure, exhibit remarkably interesting magnetic properties. The susceptibility reveals an antiferromagnetic ordering at 25.7 K for M = Cd and 86.0 K for M = Mn. Further, the heat capacity measurements also support the AFM magnetic ground state in both compounds. Interestingly, the susceptibility of M = Cd exhibits a broad maximum at 45 K, which is above TN=25.7 K, indicating the formation of Ni-Ni dimers. Recently we have investigated the magnetic behaviour of a polycrystalline sample of PbCd2Ni6Te3O18 (with Cd-114) using the WISH beam line (RB2210365) at 2 K and we find an AFM ordering with propagation vector (1/3 1/3 0) with the Ni-moments along the c-axis. What is missing is the information on the temperature dependent crystal structure, i.e., Ni-Ni bond lengths/angles of PbCd2Ni6Te3O18 to study the effect of Ni-Ni dimer formation. We therefore propose to investigate temperature dependence of the crystal structure of PbCd2Ni6Te3O18 using the high-resolution neutron powder diffractometer (HRPD).
DOI: 10.3535/5xt-jka-bkh
title: Nigella damascena L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/k2n-sas-zsd
title: Tanacetum corymbosum (L.) Sch. Bip.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2010451-3
title: In situ study of the micro-mechanical properties of MAX-phases at elevated temperatures