Research Datasets (25)

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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.
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.
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.
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.
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.
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.
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 F, Motta D, Roldán A, Hammond C, Villa A, Dimitratos N (2018). Cardiff University. 10.17035/d.2018.0043025579.
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