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Molecular interactions of etiracetam and water in solution
Active pharmaceutical ingredient (APIs) are frequently delivered to the patient in the solid-state as part of an approved dosage form (e.g., tablets, capsules, etc.). Drug... -
Variable Temperature Neutron Study of Multi-Valley Band Te-doped Mg3Sb2-xBix ...
Thermoelectric (TE) materials are able to interconvert thermal and electric energy. To understand the promising Mg3Sb2-type TE materials produced in our lab, neutron diffraction... -
Programme Access Rosseinsky
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Reverse Monte Carlo study of Silicon anode materials for Lithium-ion batteries
The performance of current commercial Li-ion batteries with graphite anodes is limited by the relatively small amount of lithium that can reversibly intercalate between the... -
Framework flexibility and host-guest hydrogen bonding in the metal-organic do...
The recently reported double perovskite analogue imidazolium potassium iron(III) cyanide is noteworthy for two reasons. First, the order-disorder phase transitions, in which the... -
Study of phonon density of states in PGEC titanate thermoelectrics
To understand the thermal conductivity suppression within PGEC titanate oxide thermoelectrics we hope to complement theoretical calculations performed on several perovskites... -
Rh(I) in Topochemically Reduced Extended Oxides
In recent years there has been a growing interest in modifying the anion lattice of complex transition metal oxides, via topochemical manipulation, to tune the magnetic and... -
Hydrogenation of frustrated Lewis pairs in solution
It has been postulated that 'Frustrated Lewis Pairs' react after associating in an encounter complex held by dispersion forces, and that is it is this complex that interacts,... -
Deformation texture of advanced high-temperature structural materials
Interest and demand on increasing the application temperature of high temperature materials requires new and or improved materials and production processes to be developed. In... -
Magnetic properties of quadruple perovskites containing A- and B-site iron ca...
New quadruple perovskites with nominal compositions LnFe4Ti3O12 (Ln = La, Nd) have recently been discovered through high pressure synthesis. Mössbauer spectra show that these... -
Determination of Local Lithium Environment in Fast Ion Conducting Garnets by ...
We propose to use two days of beamtime on POLARIS to carry out the first analysis of the Pair Distribution Function of lithium-conducting garnets. These materials show... -
Building a comprehensive understanding of cation ordering in the commercial c...
The objective of the proposed experiment is to develop an understanding of the Li/Ni/Mn ordering in a commercially relevant lithium ion battery positive electrode,... -
Xpress Data Collection on Polaris Cycle 2017/1
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Understanding transition metal, oxygen and proton local order in proton condu...
Proton conducting materials have received widespread attention in recent years, due to their rich potential in the areas of energy related research, sensors and membranes. Here,... -
Structural investigation of nano sized CeO2 and ZnO systems
We will investigate bulk and nano size ceria and zinc oxide prepared by solvothermal methods to determine the defect chemistry associated with these solids. We will use neutron... -
Structural and Magnetic Characterisation of New Polar Oxides with Weak Ferrom...
The synthesis of a phase combining electrical polarisation P and spontaneous magnetisation M is hard because of the distinct electronic structure requirements for the main... -
The molecule state in the molecularly doped metals
Inelastic neutron scattering (INS) spectroscopy is an ideal technique for studying the interaction of a metal with ligands because the metal is essentially invisible to neutrons... -
Insights into the structure of mechanochemically-synthesised ternary lithium ...
In the current work, we study inorganic solid-state electrolytes for lithium-ion batteries. These materials, unlike the traditional liquid electrolytes, could lead to a... -
A pair distribution function study of the thermoelectric skutterudites Co1-2x...
Sustainable energy-conversion technologies are important for ensuring our energy supply against declining fossil fuel reserves. Thermoelectric materials offer great potential... -
Structural study of oxygen ion conduction in microporous Mayenite
The crystal unit cell of mayenite, 12CaO.7Al2O3, consists of a cubic lattice of [Ca24Al28O64]4+ with the remaining 2*O2- contained in cages, which are linked by channels within...
