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Insight into 4-hydroxyacetophenone polymorphs from single crystal neutron dif...
Beside the lattice energy, vibrational entropy has an important contribution to polymorph stability. We have developed a new method (NoMoRe - Normal Mode Refinement), which... -
Single Crystal Investigations of Polymorphism and Disorder in CH3NH3PbI3
Photovoltaics are one of the most promising technologies for meeting future energy requirements. CH3NH3PbI3 was first used in a solar cell in 2009, which gave an efficiency of... -
Uridine 5¿-monophosphate potassium salt [K(UMP)] single-crystal neutron diffr...
To perform charge density studies for a series of uridine 5¿-monophosphate potassium salts which differ one from another due to the different amount of potassium atoms and water... -
Superstructures in insulating and metallic lanthanum-doped sodium cobaltate
The thermoelectric properties of NaxCoO2 can be substantially improved by replacing Na ions by cations of higher valence. Our neutron diffraction studies on SXD for doping with... -
Neutron diffraction to study short strong hydrogen bonds in organic molecular...
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Anisotropic Displacement Parameters and Diffuse Scattering in Graphite
The accurate description of van-der-Waals forces within DFT is currently one of the most active areas of research in computational physics and chemistry. In the case of soft... -
Determination of the low temperature Crystallographic and magnetic structures...
TlCoCl3 and Tl FeCl3 undergo structural phase transition at T1= 165K, respectively T1= 179K and T2=75 K, respectively 79 K. The unit cell stay hexagonal but the basic unitcell... -
Nature of Disorder in Relaxor-like Ferroelectric AB(HCO2)3 Frameworks
Relaxor ferroelectics are of significant interest for use as piezoelectric actuators in sensing applications and for high precision mechanical stages. Relaxors are traditionally... -
Reversible B-H Bond Activation at Cationic Rh(III) Centres: Structural Charac...
Catalytic processes leading to the functionalization of organic molecules by boron-containing reagents are highly topical ¿ ranging from transition metal catalysed hydro- and... -
diffuse scattering in PMN-PT crystals
Complex mixed-ion pervoskites, ferroelectric material (1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3, attract plenty of applications due to high piezoelectric response. The difficulties result... -
The influence of hydrogen bonding on the melting points of sulfonate-based pr...
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Sinergic Raman and neutron diffraction measurements on SXD
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Crystal structure of Kondo insulator single crystal CeRu2Al9.9Si0.1
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Pressure Effects on Proton Migration 3,5-pyridinedicarboxylic Acid
Hydrogen bonds are ubiquitous in materials across the chemical spectrum, from inorganic to biological. They influence the structure, the functionality, and therefore the... -
Crystal structures of Na2MoO4.10H2O, Na2WO4.10H2O and Na2MnO4.10H2O.
Chemical substitution is a valuable technique for probing the behaviour of materials since this exerts a stress comparable in many respects to changes in pressure or... -
Short range spin ice type correlations of HoAgGe by diffuse neutron scattering
Spin ices are exotic phases of matter characterized by frustrated spins obeying local ice rules that minimize the number of spatially isolated magnetic monopoles, in analogy... -
Unusual higher order incommensurate components in the magnetic structure of TmCu
This proposal forms a very specific part of our project to investigate complex magnetic structures in rare earth intermetallics. In extensive bulk measurements on high purity... -
Chemical effect on elastic properties in hexa-alogenated-benzenes
Benzene is the parent compound of organic solids based on C-H...pi interactions that have been used in organic field effect transistors. Any change in the C-H...pi interactions... -
Short range order in ferroelectric deuterated triglycine sulphate
We want to better understand the structural modifications and short-range correlations in ferroelectric triglycine sulphate near the ferroelectric phase transition. Above the... -
Single Crystal Scattering Study of 163-Dy2Ti2O7 Using SXD
Spin ice materials are a class of compounds with exotic magnetic properties, resulting from the frustration. Magnetic monopoles have been detected at low temperature; manifest...
