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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... -
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... -
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... -
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... -
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... -
Neutron diffraction to study short strong hydrogen bonds in organic molecular...
This dataset has no description
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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... -
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... -
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... -
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...
