2,109 Works

Characterisation of phosphazenes and their polymers

Phosphazenes are compounds with the general formula (NPX2)n where X = F, Cl, Br, organic (e.g. alkyl, aryl, alkoxide, aryloxide, amine, mercapto) and n = 3, 4, The lower members, n = 3, 4, 5 are cyclic, while the higher members are linear polymers. Perhaps surprisingly, for n = 3 and X = F and Cl, there are only incomplete assignments of the vibrational spectra. This arises because in the gas phase, the molecules are...

Nano-Sized Effect on Magnetic Properties of La2CuO4

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Nano-sized effect of ferromagnetic and antiferromagnetic materials has much attention in the recent years due to their unique properties. In the last beam time, we got 3 days to starting this research and we successfully measured our two samples. The suppression of TN was observed by reducing particle size but the saturated internal field is same with that of bulk-LCO, indicating magnetic structure of Cu spins which appear in nano-LCO is same with that observed...

Unravelling the interfacial structure of crude oil/saltwater/surfactant system with temperature and under shear

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Surface engineered sponges (SEnS) are emerging absorbents for the recovery of crude oil microdroplets from wastewater. For practical viability, the physicochemical surface structures of the SEnS need to engineered to compliment the physicochemical structure and properties of surfactant-stabilized oil microdroplets in saltwater. This work aims to determine the interfacial structure of the crude oil/seawater/surfactant system using Rheo-SANS. Specifically, the influence of surfactant concentration, temperature, and shear rate on the structure and rheological properties of emulsions...

In-situ tensile loading of additively manufactured (AM) Laser Beam Melted (LBM) AISI 316L

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Additive manufacturing (AM) or 3D printing is a rapidly developing field which produces parts in a layer wise fashion by selectively melting and solidifying to build a structure of a desired geometry. This method permits a greater freedom of design compared to conventional manufacturing processes. The material produced by AM can have a different structure of the metal grains which can lead to significantly different mechanical properties. In order to understand the origin of these...

SANS study of the nanostructure of water-in-salt electrolytes confined in mesoporous carbons

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Water in Salt electrolytes are new promising materials for application in lithium batteries, which comprise aqueous solutions of super-concentrated lithium salts (concentration >3M) with some interesting properties such as high electrochemical stability window, high lithium transference number, good ionic conductivity and decoupling of ionic mobility from viscosity. Experiments performed in the Helmholtz Zentrum-Berlin show that these solutions present nano-heterogeneities of around 1.25nm evidenced by a broad peak in SANS curves. In a battery, the electrolyte...

Conformational entropy and internal dynamics upon protein ligand binding.

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Conformational changes and protein dynamics are closely linked to protein ligand interactions. Both the conformational entropy and internal dynamics can change upon ligand binding. The proposed system of biotin and streptavidin has a stoichiometry of 4 biotin per streptavidin. Previous experiments have shown that while the internal dynamics differ for different timescales the change in conformational entropy is the same. The thermal stability of streptavidin has been shown to be affected by the ratio of...

Investigation of isonicotinamide confined within mesoporous silicon at high pressure

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Our aim is to investigate the impact of confinement on the high pressure phase transition of isonicotinamide using PEARL. Confinement in a porous silicon guest host leads to nanocrystals with greater surface and greater free energy which should lead to an easier phase transition. Neutron diffraction will allow for greater detection of the isonicotinamide molecules confined within the pores of the host guest which heavily scatters X-rays.

Investigation of isonicotinamide confined within mesoporous silicon at high pressure

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Our aim is to investigate the impact of confinement on the high pressure phase transition of isonicotinamide using PEARL. Confinement in a porous silicon guest host leads to nanocrystals with greater surface and greater free energy which should lead to an easier phase transition. Neutron diffraction will allow for greater detection of the isonicotinamide molecules confined within the pores of the host guest which heavily scatters X-rays.

Analysis of water management in lung-inspired polymer electrolyte fuel cells (PEFCs) using neutron imaging

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Cathode flow-fields inspired from the flow mechanism of air inside lungs can provide homogeneous, scalable and uniform reactant distributions in polymer electrolyte membrane fuel cells (PEFC). Lung-inspired PEFCs developed so far resulted in enhanced performance compared to conventional single-serpentine PEFCs, when tested under different reactant conditions. Through polarization analysis and other characterizations, the performance enhancement has been attributed to better water management in lung-inspired PEFC. At this stage, an in-situ diagnostic test like neutron radiography...

Magnetic ground state of the honeycomb iridate Ag1.5Li0.5IrO3

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We propose to explore the low temperature magnetic ground state of the nearly ideal honeycomb iridate Ag1.5Li0.5IrO3 to confirm that no magnetic ordering occurs and that the low temperature state is dynamic - key signatures of the onset of a novel ground state, such as a Kitaev spin liquid. This work builds off our successful observation of dynamic magnetism at very low temperatures for the honeycomb iridate Cu2IrO3. Moreover, this new silver based material is...

Probing the binding of CO2 on supported aminosilane sorbents with INS

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Fossil fuels are the main contributor to global energy consumption, which has increased the amount of atmospheric CO2, increasing the severity of climate change and health issues, leading to significant interest in carbon capture. Current technologies to adsorb CO2 use liquid amines, which has led many to look for sustainable, regenerable alternatives. Recently aminosilane species, such as amino-propyl silane (APS), grafted onto a porous solid support (typically mesoporous silicas) have proven to be effective CO2...

Soft-templating of hard carbons to produce ordered and disordered Hard carbons.

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Carbonized biowaste presents a promising route to producing energy materials in a carbonnegative way, given that the precursor material (i.e. plant material) relies on the conversion ofatmospheric CO2 to sugar molecules. By treating cellulose, starch or other sugar molecules athigh temperature (230 oC) and pressure in aqueous solution, an amorphous high carbon materialis formed. This hydrothermal carbon (HTC) can be further modified to produce battery anodes,water purification filters, supercapacitors, fuel cells and catalyst supports. This...

Soft-templating of hard carbons to produce ordered and disordered Hard carbons.

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Carbonized biowaste presents a promising route to producing energy materials in a carbonnegative way, given that the precursor material (i.e. plant material) relies on the conversion ofatmospheric CO2 to sugar molecules. By treating cellulose, starch or other sugar molecules athigh temperature (230 oC) and pressure in aqueous solution, an amorphous high carbon materialis formed. This hydrothermal carbon (HTC) can be further modified to produce battery anodes,water purification filters, supercapacitors, fuel cells and catalyst supports. This...

H/D isotope effect on enamtiomers: the case of Alanine

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In the current description of any molecular system based on the Schrodinger equation with a Hamiltonian accounting only for the electromagnetic forces, the structural properties of enantiomers should be perfectly mirror symmetric. A recent study on D-Alanine claims to have revealed dissimilarities in the structural properties of D-alanine compared with L-alanine. The fact that such a study was conducted only on the deuterated specie of one enantiomer without takinginto account the possibility of D/H exchange,...

Spin wave investigation of Ba2MnTeO6

Oxygen Dynamics in Y2O3 doped Bi2O3: (Bi0.8Y0.2)2O3 and (Bi0.6Y0.4)2O3

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The high ionic conducting delta-phase of Bi2O3 can be stabilized at ambient temperature in a range of compositions, viz., (Bi1-xYx)2O3 (x=0.1 -0.5). We would measure inelastic (vibrational) as well as quasielastic neutron scattering (QENS) spectra for (Bi0.8Y0.2)2O3 and (Bi0.6Y0.4)2O3 from 300 K to 1100 K. The diffusion in (Bi1-xYx)2O3 starts at a low temperature of around 500 K. Our ab-inito molecular dynamics simulations show that diffusion of oxygen (at 1000 K) in (Bi0.7Y0.3)2O3 is much...

Domain Size and Purity in the active Layers of Vacuum deposited Organic Solar Cells

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Organic photovoltaics (OPVs) offer a low-cost and environmentally friendly solution to the global energy transition given their scalable vacuum- or solution-based production processes and abundant inexpensive raw materials. Furthermore, their properties are highly tuneable due to wide range of possible organic molecules. Efficient OPVs consist of a photovoltaic active bulk hetero-junction (BHJ), i.e. a mix of donor molecules (D) and acceptor molecules (A). Their efficient operation relies on a particular microstructure in the BHJ, not...

Li3-xFexN diffraction pattern

Selective reductive amination of biomass-derived aldehydes/ketones to primary amines

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Primary amines are important feedstocks to many industries but are highly challenging to synthesise in bulk. We request 7 days on TOSCA to carry out inelastic neutron scattering (INS) study of a multifunctional catalyst for the efficient reductive amination of biomass-derived aldehydes and ketones with high selectivity to primary amines. The proposed study will investigate the vibrational spectroscopy of the catalyst, adsorption of guest molecules and any possible reaction intermediates on catalyst surface. In particular,...

Reliable determination of noncollinear magnetic order of Co4Nb2O9 to explain its nontrivial magnetoelectricity

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Magnetic materials with strong spin-orbit interactions are drawing strong attention as candidates to realise novel functional properties. Magnetoelectricity (also named as multiferroicity) with strong spin-orbit-coupled magnetic ions attracts special attention as the magnetic frustration and anisotropy play a corporated role in realising the new mechanism for an intrinsic coupling between the magnetisation and electric polarisation. In this project, we focus on a honeycomb antiferromagnet magnetoelectricity with strong magnetoelastic coupling: Co4Nb2O9 with strong spin-orbit-coupled Co2+ ions....

Effect of [110] uniaxial strain on the martensitic transformation in Ni2MnGa

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We propose to investigate the effect of a uniaxial load along the [110] direction on a single crystal of Ni2MnGa. Ni2MnGa is the prototype of the Heusler alloys class of material that have important technological application in various fields ranging from magneto-caloric to shape memory effects. These remarkable properties arise from the martensitic transformation from the parent cubic austenite. Our previous work related to the symmetry aspects of this transition clearly indicates a strict relation...

Characterising the Holmium contribution to excitations in Holmium Iron Garnet

Rare-earth Iron garnets (R3Fe5O12) have been in the focus of active research for the last five decades due to properties such as magnetostriction, magneto-optical effects, as well as applications in spintronics and magnonics. With the notable exception of Yttrium Iron Garnet, very little work exists on momentum resolved studies of the magnetic excitations in these compounds. It is of both fundamental and practical interest to explore the effect of a magnetic A-site in these systems,...

Characterization of the metal alloys of the Vittoria Alata of Brescia by means of TOF Neutron Diffraction.

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We propose to analyse four small samples taken from different areas of the Winged Victory of Brescia(1st Century AD) - one of the most important Roman bronzes rediscovered in Italy - with Time Of Flight Neutron Diffraction (TOF-ND) in order to characterize the different alloys that make up the statue.In addition to these four samples, we propose to analyse a fragment of a bronze frame - found in the same archaeological context of the statue...

Ruthenium models of the [FeFe]-hydrogenase active site: seeking the terminal hydride

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The [FeFe]-hydrogenase enzymes are some of the best catalysts know for generating hydrogen. We have an ongoing programme to understand how their chemistry works, and to replicate the core 'active site' of the enzyme. Recent literature reports have shown that replacing iron by ruthenium in the enzyme can allow isolation of a long sought 'terminal hydride' intermediate. Here, we will seek evidence that this intriguing compound can be seen by muon spectroscopy.

Topological triplon excitations in a dimerized quantum magnet.

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Triplons are triply degenerate spin S = 1 quasiparticles corresponding to the triplet spin excitations of the singlets in a valence bond solid. There are much exotic physics associated with triplon excitations, for instance, bosonic topological insulators states, magnetization plateaus, Bose-Einstein condensation under a magnetic field or rich phase diagrams by applying an external magnetic field and so on. Thus, triplons offer a fertile ground to explore the bosonic excitations and motivate us to search...

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  • 2020
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