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Neutron Compton Scattering of Soft Layered Materials
Although graphite and hexagonal boron nitride lie at the heart of many technological applications, their accurate theoretical description using density-functional-theory-based... -
Order-Disorder Transitions in Layered Tellurides
We have prepared a new series of layered tellurides Cr2-xInxGe2Te6, containing 2D ordered arrays of (Cr,In) cations and (Ge-Ge) pairs. Recent neutron measurements reveal indium... -
Layered Structure of Doped Organic Films for OLEDs
Conjugated organic semiconductors form an exciting class of materials that can be used in a variety of cutting edge technologies including organic light-emitting diodes (OLEDs),... -
Cation Ordering and Magnetic Properties of Layered Tellurides
We have prepared a new non-stoichiometric series Cr2-xInxGe2Te6. X-ray diffraction data can be indexed on the rhombohedral unit cell of the end-member (x=0) phase. This adopts a... -
Nuclear Structures of Lithium Substituted Layered Transition Metal Oxide Cath...
Novel cathode materials for rechargeable batteries have been under intense investigation since high cost and toxicity of current Li-ion batteries. We propose to study the... -
Structure and Stability of Copper Hydroxy Halides, Products of Anion Exchange...
We have successfully synthesised materials based on naturally occurring minerals and structurally related phases with the formula, Cu2(OH)3X where X is an anion. Phases with the... -
Benchmarking New van-der-Waals Functionals for Soft Layered Materials
The accurate description of van-der-Waals forces within density functional theory is currently one of the most active areas of research in computational physics and chemistry.... -
Shaping silica to mesoscale architectures at room-temperature
Hierarchical zeolites with molecular order at both the micropore (<2nm) and mesopore (2-50nm) level are able to combine confinement effects in catalysis without suffering...