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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... -
Phonon Dispersion in the Organic Ferroelectric Croconic Acid
Organic ferroelectrics are important materials because of their technological applications in low-cost non-volatile memory elements. Single-crystal croconic acid (C5O5H2) is the... -
Elucidating the Structure of [(LaCl)Ti28O40(OEt)38(X)]; but what is X?
Metal-doped TiO2 have particular applications as in catalysis of a range of reactions as well as in luminescence materials. Our strategy is to make well-defined molecular TixOy... -
High Pressure Neutron Diffraction of Croconic Acid
Croconic acid (Cacid) possesses a well-defined hysteresis in polarization at room temp and the highest spontaneous polarization observed in organic ferroelectrics to date. The... -
Test of FERNS CCR at low temperatures on MERLIN
This dataset has no description
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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... -
Vibrational spectra of acetylene in a novel iron metal-organic framework for ...
The energy costs associated with large-scale industrial separation of light hydrocarbons by cryogenic distillation could potentially be lowered through development of selective... -
Neutron Spectrum of Croconic Acid
Neutron Spectrum of Croconic Acid -
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...