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Structure and solvation of LiNTf2/1,2,3-trimethoxypropane - a new bio-derived...
This work will study the structure a new lithium-based electrolyte produced using 1,2,3-trimethoxypropane, a bioderived low-toxicity green solvent, as a first stage towards the... -
Solvation structure of sodium ions and hexa-fluorophosphate ions in organic c...
Here we propose to study the local structure of sodium in standard organic carbonate electrolytes for sodium ion batteries. Three different electrolytes are chosen to study; a... -
Synthetic Ion Channels Formed By Self-Assembly of Crown Ethers
Ion channels are present in cell membranes and permit the transport of ions across from the cell interior to the cell exterior (or vice versa), and hence allow chemical and... -
Structure of a clathrate hydrate inhibitor in water
Gas hydrates present a significant problem to the petrochemical industry, with pipeline plugs imparting major financial and safety concerns. Gas hydrate crystallization is... -
Interactions of modified clupeines with Gram-negative model bilayers
Clupeine is isolated from herring and is an example of a protamine, which are cationic antimicrobial peptides occurring in the sperm cells of some fish. Protamines are active... -
Antiplasticizing effect of water in amorphous prilocaine
In glassforming organic materials, the addition of water usually has a direct plasticizing effect, visible in a lowering of the glass-transition temperature Tg upon hydration of... -
When like-charged ions attract: How OH-defects influence the size and distrib...
This study will probe the liquid nanostructures of mixtures of two ionic liquids, 4-(hydroxybutyl)-pyridinium-bis(trifluorosulfonyl)-imide ([HOC4Py]NTf2) and... -
Specific ion effects in molecular non-aqueous electrolytes
Specific-ion (Hofmeister effects) are ubiquitous whenever ions are dissolved in solution and are important in many research fields from chemistry, to biology and in materials... -
Na-ion diffusion mechanisms in NaxFe1/2Mn1/2O2 cathode materials
NaxFe1/2Mn1/2O2 has been identified as a potential cathode material for Na-ion batteries since it has comparable electrochemical performance to commercially available Li-ion... -
The quest for attractive divalent sulfur - oxygen interactions
Weak nonbonded interactions between a divalent sulfur and an oxygen atom have attracted growing interest because of their roles in determining the structure and the biological... -
Protic Ionic Liquid ¿ Benzene Interactions
Ionic liquids (ILs) have been extensively studied for liquid¿liquid extractions and have recently been examined for the purification and separation of crude oil components. Of... -
Influence of chemical composition on the macroscopic properties of industrial...
Our previous proposals on ceramic glazes were rejected due to the high number of chemical components listed in the proposed (industrially typical) samples. Unfortunately the... -
In situ investigation of templated polymerisation
Metal organic frameworks (MOFs) are a particularly interesting class of three dimensional crystalline networks formed by the self-assembly of metal ions with organic ligands.... -
Pre-aggregation of 3-hydroxybenzoic acid in solution
The pharmaceutical intermediate 3-hydroxybenzoic acid (MHBA) is reported to crystallise in two polymorphs. The stable one is obtained by evaporation from methanol solution,... -
Solvation of sodium by glyme-based electrolytes for sodium intercalation into...
Here we propose to study the local structure of sodium ion in glyme electrolytes for sodium ion batteries. Glyme electrolyte are linear ethers of the structure... -
Water soluble ruthenium compounds for homogeneous catalysis processes: the ro...
The combination of NMR, DFT based ab initio molecular dynamics (AIMD) and total neutron scattering aided by EPSR simulations provide a new method for understand the factors... -
Structure and orientational dipole correlations of liquid acetonitrile
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In-Situ Studies of Electrochemically Enhanced Performance in Perovskite Elect...
Recent studies in our laboratory have shown that a range of A-site deficient perovskite oxides, with carefully tuned chemical compositions, exhibit excellent properties when... -
Resolving the enigma of self-assembled meso-structures in an H-bonding rich m...
In a recent successful LOQ experiment (RB 1810629), we have unexpectedly observed possible multilayer stacking of sodium dodecyl sulfate (SDS; ~2wt%) bilayers in glycerol... -
The structure of prilocaine in solution - crossing the BBB
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