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Gregory A. Chass, Reader (Professor) Queen Mary, University of London & Dept of Chemisty, University of Hong Kong

Event Date: 
Monday, November 20, 2017 - 3:30pm to 4:30pm

Using Neutron Scattering and Quantum Chemistry to Optimise Composites and Tune Catalyst Selectivity

Librational and low-energy vibrational (i.e. far-infrared) phenomena have long been associated with  functional  properties  of  material  and  molecular  systems.  However, accessing this ‘fingerprint’ region by standard spectroscopic methods is hindered by selection rules, sensitivity and energy resolution. Neutron scattering methods provide a solution, with associated phenomena now spatially, energetically and temporally intelligible in conjunction with quantum theory.

We used quantum chemical methods to design and guide a series of inelastic neutron experiments at the pulsed neutron and muon facility at the Rutherford Appleton Laboratory (RAL, Oxfordshire, UK). A widely-used bioactive composite was analysed towards understanding changes in material properties during setting on the VESUVIO neutron compton scattering and NIMROD neutron diffraction experimental setups. Likewise, the TOSCA indirect- geometry experimental setup was used to characterise low energy dynamics of cross-coupling catalysts employed in the production of functional materials.

The talk provides an overview of the successful application of quantum theory in the design of effective neutron beam experiments in catalysis and composites.

Dr. Gregory A. Chass completed his BSc in Chemistry at the University of Toronto, Canada and his PhD (2001-Dec) between U. Toronto and U. Szeged; 2002-2004 post-doctoral fellow Canada, USA and France, followed by a research position Spain (2004-5); visiting professorship Beijing Normal U.(2005-6); 2006-2010, lecturer (Asst. Prof.) physical chemistry University of Wales, Bangor, UK; 2011, appointed Reader (Prof.) physical chemistry, Queen Mary, University of London, UK. Research focus & expertise lie in experimental (neutron scattering, muon-spin resonance), theoretical (DFT, post-HF, ab initio dynamics) characterisation, optimisation and design of novel industrial (bio)cementis, catalysts. Additional focus tracks radical-scavenging in natural anti-oxidants. GC’s vision has also led to the development of an effective means to forging synergy between experiment and theory. GC has published ~1000 articles & reviews, ~½ as senior author in >22 different scientific journals. Since 2012, GC has secured more than £1M in support from STFC (UK) and EPSRC (UK) to establish a quantitative synergy between neutron & muon beam experiments and quantum theory, in addition to generous funding from CRG (Italy) and the Royal Society of Chemistry (UK) to optimise and design novel industrial catalysts.

Event Location: 
McMaster
Location Details: 
ABB 165