Research Datasets (6)
Research Area
Bulk, surface and catalytic properties of metal carbides: a systematic DFT study. - Quesne M, Roldan A, de Leeuw NH, Catlow CR (2017). Cardiff University. 10.17035/d.2017.0032992916.
Data for: A computational study of direct CO2 hydrogenation to methanol on Pd surfaces - Kowalec I, Kabalan L, Catlow CRA, Logsdail A (2022). Cardiff University. 10.17035/d.2022.0164034480.
Data for: A Computational Study of the Properties of Pd, Cu and Zn Surfaces - Kabalan L, Kowalec I, Catlow CRA, Logsdail A (2021). Cardiff University. 10.17035/d.2021.0133038780.
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.
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.
Thermal properties and segregation behaviour of Pt nanowires modified with Au, Ag and Pd atoms: A Classical Molecular Dynamics Study - data - Gambu TG, Terranova U, Santos-Carballal D, Petersen MA, Jones G, van Steen E, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0077930441.