Dr David Willock

Projects as PI

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Automated design of new materials for fuel cell catalyst - iCat design - Funder:Johnson Matthey Davy Technologies Ltd (24/03/2010 - 24/03/2010) Metal - support interactions in catalysis: A theoretical investigation - Funder:Johnson Matthey Davy Technologies Ltd (01/01/2011 - 31/12/2013) Scalable quantum chemistry with flexible embedding - Funder:Engineering and Physical Sciences Research Council (01/10/2011 - 14/02/2014) Scalable quantum chemistry with flexible embedding Stage 2 - Funder:Engineering and Physical Sciences Research Council (01/12/2013 - 30/11/2015) Simulation in support of the Chem3D outreach ProjectmShell - Funder:Engineering and Physical Sciences Research Council (01/06/2018 - 30/09/2018)

Projects as Co-Investigator

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An RGA for the catalytic microreactor towards operando electron microscopy for catalyst innovation - Funder:Engineering and Physical Sciences Research Council (01/10/2018 - 31/03/2020) Catalytic oxidative cracking of polynuclear aromatics - Funder:Exxon Mobil Research & Engineering Co (01/04/2009 - 30/06/2013) Collaborative research in energy with South Africa: Upgrading of light alkanes to fuels - Funder:Engineering and Physical Sciences Research Council (01/03/2010 - 31/08/2013) Dow methane challenge - Funder:Dow Chemical Company, - Funder:Dow Chemical Company (21/12/2007 - 31/12/2013) Fuel from bioreneweable polyols: A new catalytic route - Funder:Engineering and Physical Sciences Research Council (01/09/2017 - 31/12/2020)

Research Datasets

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Calculated structures for "The Adsorption of Cu on the CeO2(110) surface" - Willock DJ, Chutia A (2017). Cardiff University. 10.17035/d.2017.0040809826. Heterogeneous Catalysis Crystal structure Data relating to "Explicit Detection of the Mechanism of Platinum Nanoparticle Shape Control by Polyvinylpyrrolidone" - Ye J-Y, Attard GA, Brew A, et al. (2016). Cardiff University. 10.17035/d.2016.0008427040. Catalyst Characterisation Electrocatalysis Investigating the influence of reaction conditions and the properties of ceria for the valorisation of glycerol - dataset - Smith L, Smith PJ, Douthwaite JM, et al. (2019). Cardiff University. 10.17035/d.2019.0067888810. Nanoparticles for Catalysis Heterogeneous Reactions Acid/base Catalysis New insights for the valorisation of glycerol over MgO catalysts in the gas-phase - dataset - Smith LR, Smith PJ, Mugford KS, et al. (2018). Cardiff University. 10.17035/d.2018.0049493818. Heterogeneous Catalysis Green Catalytic Technologies Simulation data from: The direct synthesis of hydrogen peroxide over Au and Pd nanoparticles: A DFT study. - Willock D, Agarwal N, Thomas L, et al. (2020). Cardiff University. 10.17035/d.2020.0116559060. Heterogeneous Reactions

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Last updated on 2021-25-01 at 22:05