1,229 Works

The effect of Framework Structure, Composition and Sorbate - Framework Interactions on Controlled Anticancer Drug Release by Zeolites.

, , &
Zeolites are a promising group of materials for use in controlled delivery systems of anticancer drugs such as 5-Fluorouracil (5-FU) as they are crystalline, relatively cheap and possess channels and cavities that are suitable for accommodating different drugs. We will use INS to probe the interactions of 5-FU upon adsorption into acidic faujasite (FAU) and beta type (BEA) zeolites, (counterion H+) whilst varying the Si/Al ratios (Si/Al = 5 and 80 for FAU, 12.5 and...

New oxide ion conductors: Local structure and structure-property relationships

, , &
Oxide ion conductors are key components in a number of technologically important applications. Our research programme on the development of new oxide ion conductors, using neutron scattering methods in conjunction with computational modelling, has resulted in new insight into the relationships between structure, dynamics and properties in some of the leading solid electrolytes. In this proposal we request 3 days of POLARIS beamtime to investigate the structural properties of a new family of oxide ion...

Investigating the relationship between pressure-induced tilting and A-site cations in Prussian blue analogues

, , &
We propose a high-pressure study of a number of Prussian blue analogues (PBAs) of formula AMn[Co(CN)6] (where A = Cs+, Rb+, K+) to investigate the influence of the A-site cation size on the high-pressure behaviour. Preliminary X-ray experiments show that CsMn[Co(CN)6] transforms to a tetragonal phase upon compression, whereas A-site deficient PBAs of similar composition behave fundamentally differently. We now wish to understand the compression behaviour in more detail by using neutron radiation to accurately...

Pressure dependance of soft mode phonons in cubic NTE material Cd(CN)2

, , , , &
Cubic cadmium cyanide is one of the most important negative thermal expansion (NTE) materials, meaning that it shrinks rather than expands when heated. Understanding the vibrations in the vibrations present in Cd(CN)2 and how they change as the material is compressed is central to understanding this materials NTE. Counterintuitively, as our material is compressed it becomes easier to compress, which indicates that more study into the vibrations under pressure may reveal something about the underlying...

Neutron scattering study on noncollinear antiferromagnets D019 hcp-Mn3Sn thin film

, , , , &
Currently, we are reaching capacity limits in conventional Si-based memory devices, due to restrictions on further miniaturization. The concept of antiferromagnetic spin electronics (spintronics) has gained much traction to overcome this challenge. It has become clear that AFMs are actually vastly advantageous to realize memory devices, being far more robust than FM-based devices, with high packing density, and insensitivity to external fields. Unfortunately, to date, only a few materials have emerged as candidates. Thus, in...

Unravelling the nature of the polyhydrated sulfate deposits on Mars

, , , &
Hydrated sulfates are likely to be the dominant water reservoir in the equatorial region of Mars forming massive stratified deposits. Hence their detailed mineralogical characterisation is likely critical to understand the aqueous history as well as the present-day equatorial water cycle of our neighbouring planet. MgSO4·4H2O is the most promising candidate to form the bulk of the equatorial sulfate deposits whereas FeSO4·4H2O appears to be unstable under martian surface conditions. We have recently carried out...

Short-term stress relaxation on cyclic lattice-strains evolution of a new martensitic steel at elevated temperature via in-situ ND

, , &
A new 9Cr martensitic steel MARBN for next generation power plant is shown to have a superior mechanical performance comparing with existing other 9Cr steels in high temperature applications. The additional short-term dwell period of power plant operations is extremely detrimental to experience creep-fatigue, which has already been regarded as the key failure mechanism of the high temperature components. The proposed experiment aims to gain an in-depth physical understanding on the micro-mechanics strains evolution induced...

Hydrophobic DES and water: intermolecular interactions for tailored solvents

, , , , , &
In the recent years, the search for green solvents has intensified and Deep Eutectic Solvents (DESs)* have emerged as an alternative to conventional molecular solvents and ionic liquids. The effect of water on the physicochemical properties and on the structural features of DESs is attracting increasing attention, due to practical implications. The high viscosity of DESs may hinder their practical applications for different industrial processes, but the water content can considerably reduce it. The addition...

Spin-waves in Nd2PdSi3 with coexistent ferromagnetism and antiferromagnetism

, , , , &
Rare-earth magnetic materials often exhibit complex magnetic ordering, due to the presence of competing magnetic interactions. In our previous neutron diffraction study, we found evidence that Nd2PdSi3 is one such example, from the observation of both ferromagnetic (FM) and antiferromagnetic (AFM) Bragg peaks in the ordered phase. Here we propose to perform inelastic neutron scattering measurements on single crystals of Nd2PdSi3 in order to map the spin-wave dispersions below the ordering temperature. This will allow...

Detecting O-O diatomics trapped in high energy density Li-ion battery cathode materials using Inelastic Neutron Scattering

, , &
The energy density of Li-ion batteries is currently restricted by the cathode material, typically a layered Li transition metal (TM) oxide. High energy densities can be accessed in Li-rich materials, such as Li1.2Ni0.13Mn0.54Co0.13O2, by oxidising the oxide ions in the crystal lattice in addition to the TMs present, however, this reaction triggers severe structural rearrangement, including suspected dimerization of oxidised oxide ions to form O-O bonds. Characterising these in the bulk of a solid inorganic...

Detecting O-O diatomics trapped in high energy density Li-ion battery cathode materials using Inelastic Neutron Scattering

, , &
The energy density of Li-ion batteries is currently restricted by the cathode material, typically a layered Li transition metal (TM) oxide. High energy densities can be accessed in Li-rich materials, such as Li1.2Ni0.13Mn0.54Co0.13O2, by oxidising the oxide ions in the crystal lattice in addition to the TMs present, however, this reaction triggers severe structural rearrangement, including suspected dimerization of oxidised oxide ions to form O-O bonds. Characterising these in the bulk of a solid inorganic...

Diffusion studies using methane to investigate the diffusional constraint in ZSM-5 samples used in the methanol-to-hydrocarbons reaction

, , , &
Methanol-to-Hydrocarbons (MTH) is an important industrial reaction. It is thought to work through a 'hydrocarbon pool' mechanism where the hydrocarbons retained within the catalyst pores act both as the activating and deactivating species. It is known that the hydrocarbons retained within the pores increase with time-on-stream and thereby change the diffusion pathways of both reactants and products. During a previous QENS beam allocation, both methanol and methane were used as a probe molecule. The methanol...

Local coordination and vibrational properties of hydride ions in a novel oxide-hydride

, , &
This proposal requests beamtime on the inelastic neutron scattering spectrometers TOSCA and MAPS to investigate the local coordination and vibrational dynamics of hydride ions in the recently discovered LaxSr4-xNiRuO4H4 (x = 0.5, 1, and 1.5) oxide-hydride phases. Besides being of pure fundamental interest, one of the interests in these materials is their inherent hydride-ion conductivity, which makes them of interest for various technological devices. The aim of the research is to determine how the atomic-scale...

In situ Ca-F cluster formation during crystallisation of mold fluxes

, , , , &
Mold fluxes are used as sort of ‘lubricants’ for molten steel, and are prepared as mixtures of calcite, flurite, some SiO2, and some Na: these mixtures are tailored to melt at certain temperature, providing a molten layer that works as a lubricant. These melts, at lower T, start to crystallise, forming a mineral called cuspidine and some other Ca-silicates. The very beginning of the process is the most interesting part, because what happens (likely the...

In situ lattice spacing measurement during creep in gamma double prime strengthened Ni-base superalloys

, , , &
This proposed experiment is to use neutron diffraction at ENGIN-X to study the micro-mechanics of deformation during creep of the Ni-base superalloy Inconel 718. Before the neutron experiment, the samples will be heat treated in order to form a microstructure that will allow the mechanism to be more readily probed. The lattice response of both the matrix phase and the strengthening phase during creep deformation can be in situ monitored in the neutron experiment. Measurements...

Investigation of local structure in Ni3+-rich Li ion battery cathode materials

, , , , &
LiNi0.8Mn0.1Co0.1O2 (Li NMC 811), LiNi0.6Mn0.2Co0.2O2 (Li NMC 622) and LiNi0.8Co0.15Al0.05O2 (Li NCA) are next generation Li ion battery cathode materials where the main redox active ion is Jahn-Teller active Ni3+. A previous report on the parent material LiNiO2 indicated local ordering of the Ni3+ Jahn-Teller orbitals into trimers at low temperatures, however the impact of the local distortions of the Ni3+ Jahn-Teller orbital on the structure and the subsequent electrochemical performance of these Ni3+ rich...

Guest dynamics as a function of pressure in a barocaloric coordination framework

, , , , &
Coordination framework materials tend to be mechanically soft, so their order-disorder phase transitions can be exploited, for instance, in environmentally friendly barocaloric refrigeration. Yet understanding the origin of the entropy change across these phase transitions is exceptionally challenging. QENS provides a unique way to simplify this problem by separating entropy due to dynamic site-hopping from that due to vibration or static disorder. In this experiment we will load a coordination framework, TPrAMn(dca)3, with exceptionally high...

Guest dynamics as a function of pressure in a barocaloric coordination framework

, , , , &
Coordination framework materials tend to be mechanically soft, so their order-disorder phase transitions can be exploited, for instance, in environmentally friendly barocaloric refrigeration. Yet understanding the origin of the entropy change across these phase transitions is exceptionally challenging. QENS provides a unique way to simplify this problem by separating entropy due to dynamic site-hopping from that due to vibration or static disorder. In this experiment we will load a coordination framework, TPrAMn(dca)3, with exceptionally high...

Dynamics of Li Atom in Solid Ionic Conductors: LiAlGeO4 and Amorphous Li2Si2O5

, , &
The lithium battery research is progressively increasing to make the batteries lighter, quickly chargeable, safer, long liver, stable and cost effective. The ab-initio calculated activation energy for diffusion of Li in LiAlGeO4 is reported to be about 0.11 eV (0.30 eV for LiAlSiO4). So it is expected to have higher ionic conductivity and lower conduction temperature than that of LiAlSiO4. Amorphous phase of Li2Si2O5 is found to transform to crystalline form above 893 K. This...

Characterisation of the interactions between electrode, lipid membrane and cross-membrane redox protein under electrochemical control.

&
This proposal builds on previous work in which a custom-made electrochemical cell was used to reveal subtle but significant changes in the structure of a key electron-transfer protein, cytochrome c, as the applied potential was varied. The transfer of electrons to the electrode surface is currently a rate-limiting step in bioelectrochemical devices that use light-harvesting biofilms to generate electricity and therefore understanding more about this key interaction is crucial for future development of this technology....

Determination of the mechanism of bacterial membrane disruption by cationic antimicrobial polymers

, , &
Rising antimicrobial resistance poses one of the largest threats to global health, predicted to lead to over 10 million deaths per annum in the UK and US alone by 2050. To combat this issue, we have taken inspiration from natural antimicrobial peptides and developed a library of synthetic, cationic antimicrobial polymers which are effective in inhibiting the growth of clinically relevant MRSA by disrupting the membranes which encapsulate the bacterial cell. Here, we propose to...

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,...

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

, , &
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,...

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

, , &
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...

Solid-State Dynamics of Organic Electronic Materials via Avoided Level Crossing Muon Spectroscopy

&
Triptycene is a propeller shaped molecule with a rigid three-dimensional structure which can be used as a component of new functional molecules for energy applications including organic solarcells, light emitting devices and hydrogen generation. In an organic solar cell the freedom of motion of molecular components can dictate factors such as charge generation and transport (keyefficiency parameters) and device stability and lifetime which is a major problem with devices which use spherical and therefore mobile...

Registration Year

  • 2020
    1,229

Resource Types

  • Dataset
    1,229

Affiliations

  • Lancaster University
    1
  • UK Energy Research Centre
    1