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Predicting polymerization reactions via transfer learning using chemical lang...
Polymers are candidate materials for a wide range of sustainability applications such as carbon capture and energy storage. However, computational polymer discovery lacks... -
Predicting polymerization reactions via transfer learning using chemical lang...
Polymers are candidate materials for a wide range of sustainability applications such as carbon capture and energy storage. However, computational polymer discovery lacks... -
Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Di...
All primary data files and processed data of the journal article from Buchmeiser group. Spectroscopic data of the different polymers is put into folders for each polymer, data... -
The use of INS to characterise deactivation of methane reforming catalysts.
For the first time, the research team aim to use INS to characterise a series of candidate methane reforming catalysts. Recent studies have shown that modification of... -
Evolutionary developments in the use of INS to investigate heterogeneous cata...
As part of an EPSRC grant coupled with an ISIS Programme Access award, the research team have been developing the methodology of using inelastic neutron scattering (INS) to... -
Probing the nature of the interactions at the surface of fuel cell catalysts ...
The objective of this proposal is to identify the nature of species formed on the surface of the catalyst material when they are exposed to typical fuel cell feed stocks and... -
Quantification of hydrocarbonaceous overlayers relevant to the induction of i...
Recent experiences applying INS to examine a series of nickel-based methane reforming catalysts have enabled a generic experimental methodology to be developed. In collaboration... -
The application of INS to examine high specification Fe Fischer-Tropsch catal...
Over the last 4-5 years the research team have been developing INS methodology that can be applied to investigate Fe Fischer-Tropsch (F-T) catalysts. The first stage of that... -
Investigation of the ligand interaction in thiol-capped Au and Pd nanoparticl...
Organic stabilisers, such as thiols, thioethers, amines and polymers (i.e. polyvinylalcohol) have been used for the stabilisation of metal nanoparticles. The catalytic... -
Hydrogen activation by non-metal catalysts. IINS studies of Frustrated Lewis ...
Hydrogenation has played a crucial role in energy related applications ranging from the production of ammonia from N2 to the conversion of coal to liquid fuels. Until recently,... -
Characterisation of on-top hydrogen on fuel cell catalysts.
A key step in a fuel cell is the dissociation of hydrogen gas to provide protons and electrons by a catalyst. For low temperature fuel cells carbon black supported... -
Characterisation of Pearlman's catalyst
Pearlman¿s catalyst is commonly used in various hydrogenation, arylation and O-debenzyaltion reactions. The catalyst is unusual that it is active but not pyrophoric. It is... -
The adsorption of methyl proprionate on silica catalysts.
Commercial routes for the manufacture of methyl methacrylate monomer have recently been developed that involve the reaction of esters over modified silicas, which are amphoteric... -
New quaternary nitride catalysts; mapping activity to structure and metal dis...
We propose an experiment on POLARIS to elucidate the changing structure and stoichiometry of mixed metal quaternary molybdenum nitrides, Con(1-x)FenxMonN (n=3, 6; 0 ≤ x... -
Influence of promoting additives on the formation of palladium hydrides in te...
Steering and optimizing catalyst selectivity at ¿ simultaneously - adequate catalyst activity is a continuing challenge in chemical technology and of high economic impact. In... -
Understanding the mechanism of benzyl alcohol oxidation using supported Au-Pd...
Gold, in its nano-scale, has been found to be very effective catalyst for oxidation reactions. More recently, it was shown that supported Au-Pd catalysts can be used for... -
Can INS measurements access hydrocarbonaceous overlayers on heterogeneous hyd...
This application seeks to discover whether the catalyst handling protocols refined for INS measurements of a variety of heterogeneous catalytic systems can be further exploited... -
How do modifiers affect performance in iron Fischer-Tropsch catalysts?
The applicants have recently completed a series of INS studies on a model iron Fischer-Tropsch catalyst. Given the recent huge invigoration of F-T catalysis due to future global... -
Structural Investigation of high active Lewis acid catalysts for selective hy...
The selective oxidation of saturated C-H bonds is a crucial step in many industrial processes. Recent we have discovered an alternative green one-step route for the selective... -
Understanding the mechanism of benzyl alcohol oxidation using supported Au-Pd...
This proposal is a continuation of RB1000003. The aim of the present experiment is to gain further insight into the mechanism of benzyl alcohol oxidation using supported Au-Pd...
