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Proton transfer in croconic acid
Croconic acid has recently emerged as the first example of an above room-temperature organic single component ferroelectric. Our goal is to determine its crystal structure at... -
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... -
Proton mobility in Solid Super Proton Conductor CsHSO4
As a natural continuation of RB1010524, we propose to perform NCS measurements on CsHSO4 around the super protonic phase transition at 414 K. Our methodology to compute atomic... -
Diffuse scattering studies of squaric acid in an applied electric field
Organic ferroelectric compounds such as KH2PO4 and squaric acid, have attracted much interest in the past due to their potential in applications [1]. This interest has been... -
Proton mobility in Solid Super Proton Conductor (H3O)SbTeO6 at controlled hum...
Super proton conductors are in the focus of interest because of their use in low temperature fuel cells. In this project we try to obtain information on proton mobility,... -
Szilard-Chalmers reaction: towards understanding of breaking of chemical bond...
When a nucleus captures a low energy neutron it emits a gamma ray as it recoils. The recoil energy is often sufficient to break a covalent bond to the atom concerned. The effect... -
Demystifying the Haupt effect: the need for neutron scattering
In 1972, Haupt observed a giant enhancement of proton polarisation in NMR experiments on crystalline g-picoline. Key to this discovery was the implementation of quick... -
Proton/deuteron mobility in ammonium hexachlorometallates.
The piloting experiments RB820478, RB610497 and RB 10067 on VESUVIO on (NH4)2PdCl6 and (NH4)2TeCl6 have shown that: (i) at 300 K, the dynamics of NH4+ and PdCl6- and TeCl6- is... -
Copy of: Copy of: The Super Proton Conductors (H3O)SbTeO6 and Rb3H(SO4)2 ¿ Co...
Neutron Compton scattering (NCS) results will be obtained from the two super proton conductors (H3O)SbTeO6 and Rb3H(SO4)2, both powders. To facilitate direct comparison of... -
Optimising the Haupt effect: the route toward application
The implementation of quick temperature cycles over the temperature range 2-40K in g-picoline has lead to the first observation of a redistribution of scattered intensity in... -
Vibrational density of states in ammonium hexachlorometallates.
The piloting VESUVIO experiments RB820478, RB610497 on (NH4)2PdCl6 and (NH4)2TeCl6 and RB 10067 on (ND4)2PdCl6 have shown that: (i) the H/D dynamics in NH4+/ND4+ is largely... -
Onset of classical dynamics in ammonium hexachlorometallates.
The piloting experiment (RB 820239) on VESUVIO on (NH4)2PdCl6, has shown that, at 5 and 80K, H momentum distribution, J(y), in NH4+ is non-Gaussian with non-vanishing... -
Proton dynamics in novel organic ferroelectric materials
The vast majority of known ferroelectrics are inorganic compounds such as barium titanate and potassium dihydrogen phosphate. Contrary to naïve expectation, ferroelectricity in...
