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On the Mechanism of Self-Assembling Chiral Gelators
Organogelators are small molecules that self-associate into extensive network structures. Our interest lies in a homologous series of such gelators, the... -
INS STUDY OF BIOCHAR AS SOLID ACID CATALYSTS
Pyrolysis is considered as a sustainable way to generate energy from bio-oil, however, biochar – a solid residue by-product– is inevitably produced in the production line. We... -
Investigation into the reversibility of TiCl4 doped NaALH4
Hydrogen Storage still remains the technology bottleneck for a more widespread use of hydrogen. Solid complex hydrides such as amides, alanates and borohydrides have been... -
CuH: a (nearly) 200 year old problem
Copper (I) hydride, CuH, is unique amongst the binary metal hydrides in that it can be synthesised, at room temperature, in aqueous solution. In recent years CuH generated in... -
INS on H2 adsorbed in microporous L-Isoleucyl-L-valine.
We intend to perform an inelastic neutron scattering experiment on para-H2 adsorbed in L-Isoleucyl-L-valine (IV) microporous systems using the TOSCA spectrometer. IV is one of a... -
CONFORMATIONAL STUDY OF USNIC ACID
A conformational analysis of usnic acid by Inelastic Neutron Scattering spectroscopy is envisaged, aiming at a better understanding of the equilibrium between inter- and... -
INS studies of copper sulphate pentahydrate - two birds with one stone.
Copper sulphate pentahydrate is one of the iconic substances of chemistry. The characteristic dark blue colour is the result of the water present: four molecules are coordinated... -
INS studies of molecular hydrogen in K-doped electrospun graphite nanofibres
The physisorptive capacity of graphite-based nanomaterials for hydrogen is strongly dependent on their internal surface areas and pore dimensions. We have made electrospun... -
Study of the vibrational properties of homologous bioprotectant disaccharides...
The innovative research field on glass forming systems having bioprotective action has been originated from a growing demand from many biotechnological industrial research... -
INS Determination of the Surface Properties of Nanoparticle Pollutants
Metal oxide nanoparticles are a form of pollution generated by a number of industrial procedures, and there is evidence that this class of nanoparticle can have a detrimental... -
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... -
Vibrational spectroscopy on novel N-heterocyclic Pd-catalysts
We propose to investigate the vibrational dynamics of N-heterocyclic carbenes (NHC) on TOSCA.The here proposed study complements theoretical works in hand for these novel... -
Exploring Polymer Vibrations under Extreme Confinement: Substrate Effects
We seek to explore extreme confinement on the vibrational density of states of polyethylene oxide (PEO) over a wide energy-transfer range (10-3000 cm-1). These experiments are... -
Discriminating adsorption sites in the metal-organic framework CPO27-Fe(II)/F...
We propose to measure inelastic incoherent neustron scattering spectra of p-H2 adsorbed in situ in the metal-organic frameworks CPO-27-Fe(II) and CPO-27-Fe(III). These are two... -
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.... -
Vibrational proton dynamics in a Ga[GaH3]4 clusterion through incoherent inel...
An unprecedented Ga[GaH3]4 clusterion, with the neopentane structure, has been found in the solid state hydrides Rb8Ga5H15 and Cs8Ga5H15. This is the first gallium-hydrido... -
Vibrational Energy Differences of Hydrogen Bonded Crystals
Crystal energy differences can be calculated but they cannot be directly measured because the enthalpy difference that is measured includes a contribution from differences in... -
An investigation into the structure of zeolites ZSM-5, Beta and Y as a functi...
The inelastic neutron scattering spectrum of commercial samples of industrially important zeolites ZSM-5 (Si/Al ratios: 25, 30, 80,and 280), Beta (Si/Al ratios: 25, 38, and 300)... -
INS investigation of the effects of hydration on the dynamics of natural silk...
Silk materials have been the focus of renewed attention because they exhibit extraordinary mechanical strength and toughness.Two main factors are critical for understanding... -
The structural phase transitions of Ammonia Borane, an invetigation of the dy...
Ammonia Borane (AB), NH3BH3, was first synthesised in the 1950s and has now become the focus of a world wide research program with regards to its potential as a hydrogen store....