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The Structure of Ce-Doped TiO2 Photocatalysts
Our aim is to build atomic-scale models for the structures of some new materials that have useful properties for photocatalytic water splitting, an important contemporary area... -
The structure of LiPON and NaPON glass
Lithium (LiPO3) and sodium (NaPO3) metaphosphate glasses show improved ionic conductivity when some of the oxygen in the phosphate tetrahedron is replaced by nitrogen. As such... -
Local structure study of Cr-Fe alloys with enhanced magnetovolume effect
Negative thermal expansion (NTE) materials, the volume of a material abnormally contract with the increase of temperature, is closed related to the magnetovolume effect in... -
Unraveling the crystal structure of cuprice, CuOH×H2O GEM
Long-term nuclear waste repository strategies in Europe include the developing of safe multi-barrier isolation of spent nuclear fuel. One of the considered schemes is the... -
Total scattering study of the II to I phase transition in pyridine
Atomistic characterisation of phase transitions in organic materials is important because of the role played by polymorphism in pharmaceuticals and agochemicals. Conventional... -
Structural origin of negative thermal expansion in ScF3
Scandium fluoride has recently been identified as a very simple example of a material showing negative thermal expansion over a wide range of temperatures. In particular, it... -
The First Structural Characterisation of some Gallium Oxide Polymorphs
We propose to make the first detailed structural study of some polymorphs of gallium oxide that remain poorly characterised and yet have applications in catalysis and are used... -
Neutron PDF Analysis of Solid Methylaluminoxane as an Activating Catalyst Sup...
Methylaluminoxane (MAO) is the most commonly used activator and co-catalyst for transition metal complexes in olefin polymerisation reactions. Despite its widespread use, there... -
Structure-Property Relationships in Polymorphs of Mn(CN)2
We will determine the atomic and magnetic structure of two polymorphs of manganese cyanide, Mn(CN)2, which exhibit negative thermal expansion (NTE). The two forms are related;... -
PDF study of the effect of synthesis conditions on the local structure of har...
Hard carbons are amongst the most promising anode materials for sodium-ion batteries, but their charge storage mechanisms are still poorly understood. Difficulties in... -
Evaluation of inelasticity effects in diffraction
For total diffraction measurements using neutrons it is important to correct the data for inelasticity effects, especially for samples containing light atoms. Conventionally... -
Unraveling the crystal structure of cuprice, CuOH×H2O SANDALS
Long-term nuclear waste repository strategies in Europe include the developing of safe multi-barrier isolation of spent nuclear fuel. One of the considered schemes is the... -
Neutron diffraction for improving simulations of base glasses used to vitrify...
The UK nuclear industry is involved in a large effort to decommission nuclear power reactors and safely store radioactive waste. A key process is the vitrification of high level... -
Neutron Total Scattering Investigation of LaCoxMn1-xO3 Perovskites
The perovskite structure with general formula ABX3 describes many hundreds (if not thousands) of materials. Many have interesting and technologically important properties. The... -
Neutron diffraction study of local and mesoscopic disorder induced by La and ...
The accurate determination of the defect structure of rare earth (RE) doped ceria solid electrolytes is fundamental for the comprehension of oxygen diffusion and charge...