Research Datasets (35)
Research Area
A residue free approach to water disinfection using catalytic in situ generation of reactive oxygen species - data - Morgan D, Lewis R, Richards T, He Q, Howe AG, (2021). Cardiff University. 10.17035/d.2021.0132824835.
Calculated structures for "The Adsorption of Cu on the CeO2(110) surface" - Willock DJ, Chutia A (2017). Cardiff University. 10.17035/d.2017.0040809826.
Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: A DFT study [Dataset] - Quesne M, Roldan A, de Leeuw NH, Catlow CRA (2019). Cardiff University. 10.17035/d.2019.0070602444.
Catalytic Water Dissociation by Greigite Fe3S4 Surfaces: DFT Study - Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0008383220.
CO2 hydrogenation to CH3OH over PdZn catalysts, with reduced CH4 production - data - Ruiz Esquius J, Bahruji H, Taylor SH, Bowker M, Hutchings GJ (2020). Cardiff University. 10.17035/d.2020.0116381908.
Data for: QM/MM study of the reactivity of zeolite bound methoxy and carbene groups - Nastase SA, Logsdail A, Catlow CRA (2021). Cardiff University. 10.17035/d.2021.0137511663.
Data pertaining to quantitative determination of Pt- catalysed D-glucose oxidation products using 2D NMR - Armstrong RD, Hirayama J, Knight DW, Hutchings GJ (2018). Cardiff University. 10.17035/d.2018.0065256615.
Dehydrogenation and Dehydration of Formic Acid over Orthorhombic Molybdenum Carbide: Data - Logsdail A, Roldan A, Agrawal K, (2021). Cardiff University. 10.17035/d.2021.0129383674.
DFT Modeling of the Adsorption of Trimethylphosphine Oxide at the internal and External Surfaces of Zeolite MFI - Hernandez-Tamargo C, Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0009738222.
Effect of support acidity during selective hydrogenolysis of glycerol over supported palladium ruthenium catalysts - data - Guadix-Montero S, Santos-Hernandez A, Folli A, Sankar M (2020). Cardiff University. 10.17035/d.2020.0106627295.
Enhanced Selective Oxidation of Benzyl Alcohol via in-situ H2O2 Production Over Supported Pd-based Catalysts - data - Crombie CM, Lewis RJ, Taylor RL, Morgan DJ, Davies TE, Folli A, Murphy DM, Edwards JK, Qi J, Jiang H, Kiely CJ, Liu X, Skjøth-Rasmussen MS, Hutchings GJ (2021). Cardiff University. 10.17035/d.2021.0128838559.
Experimental data for Pd-Sn catalysts for the direct synthesis of H2O2 with high selectivity - Freakley S, Morgan DJ, He Q, Harrhy J, Li L, Crole DA, Ntainjua EN, Borisevich A (2017). Cardiff University. 10.17035/d.2016.0008119507.
Highly efficient catalytic production of oximes from ketones using in situ generated H2O2: data - Lewis RJ, Ueura K, Liu X, Fukuta Y, Davies TE, Morgan DJ, Chen L, Qi J, Singleton J, Edwards JK, Freakley SJ, Kiely CJ, Yamamoto Y , Hutchings GJ (2022). Cardiff University. 10.17035/d.2022.0163568304.
Hydrodeoxygenation of Guaiacol Over Orthorhombic Molybdenum Carbide: A DFT and Microkinetic Study - data - Agrawal K, Kishore N, Roldan A, Logsdail A (2021). Cardiff University. 10.17035/d.2021.0133038189.
Hydrogen generation from additive-free formic acid decomposition under mild conditions by Pd/C: Experimental and DFT studies - Sanchez Trujillo FJ, Motta D, Roldan A, Hammond C, Villa A, Dimitratos N (2018). Cardiff University. 10.17035/d.2018.0043032399.
Hydrogen production from formic acid decomposition in liquid phase using functionalised Pd/CNFs - Sanchez Trujillo FJ, Motta D, Roldan A, Hammond C, He Q, Davies TS, Dimitratos N (2018). Cardiff University. 10.17035/d.2018.0048663064.
Impact of the Experimental Parameters on Catalytic Activity when Preparing Polymer Protected Bimetallic Nanoparticle Catalysts on Activated Carbon - data - Paris CB, Morgan DJ, He Q, Hewes D (2022). Cardiff University. 10.17035/d.2022.0163528087.
Interaction of SO2 with the Platinum (001), (011) and (111) Surfaces: A DFT Study - data - Ungerer MJ, Santos-Carballal D, Cadi-Essadek A, van Sittert CGCE, de Leeuw NH, (2020). Cardiff University. 10.17035/d.2020.0102392045.
Investigation of the catalytic performance of Pd/CNFs for hydrogen evolution from additive-free formic acid decomposition - Sanchez FJ, Motta D, Roldán A, Hammond C, Villa A, Dimitratos N, (2018). Cardiff University. 10.17035/d.2018.0043025579.
Kinetic model of water adsorption, clustering and dissociation on Fe3S4{001} - Roldan A, de Leeuw NH (2017). Cardiff University. 10.17035/d.2016.0010313665.
Methanol formation from CO2 catalyzed by Fe3S4{111}: formate versus hydrocarboxyl pathways - Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0008385635.
Multifunctional supported bimetallic catalysts for a cascade reaction with hydrogen auto transfer: synthesis of 4-phenylbutan-2-ones from 4-methoxybenzyl alcohols - Morad MH, Nowicka E, Douthwaite JM, Iqbal S, Miedziak PJ, Brett GL, He Q, Morgan DJ, Edwards JK, Alshammari H, Bethell D, Knight DW, Sankar M, Hutchings GJ (2017). Cardiff University. 10.17035/d.2017.0033515199.
New insights for the valorisation of glycerol over MgO catalysts in the gas-phase - dataset - Smith LR, Smith PJ, Mugford KS, Douthwaite JM, Dummer NF, Willock DJ, Howard M, Knight DW, Taylor SH, Hutchings GJ (2018). Cardiff University. 10.17035/d.2018.0049493818.
New insights into how Mg(OH)2 affects the performance of Au-based catalysts in base-free glycerol oxidation - Fu J, He Q, Miedziak PJ, Brett GL, Huang X, Pattisson SD, Douthwaite JM, Hutchings GJ (2017). Cardiff University. 10.17035/d.2017.0040286171.
Partial oxidation of greigite Fe₃S₄(001) surface by water - Santos Carballal D, Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0008121157.