Browsing by Author "Cadi-Essadek, Abdelaziz"

Now showing items 1-2 of 2

Interaction of H2O with the Platinum Pt (001), (011), and (111) surfaces: a density functional theory study with long-range dispersion corrections

Ungerer, Marietjie J.; Van Sittert, Cornelia G.C.E.; Santos-Carballal, David; Cadi-Essadek, Abdelaziz; De Leeuw, Nora H. (ACS, 2019)

Platinum is a noble metal that is widely used for the electrocatalytic production of hydrogen, but the surface reactivity of platinum toward water is not yet fully understood, even though the effect of water adsorption on ...
Interaction of SO2 with the Platinum (001), (011), and (111) surfaces: a DFT study

Ungerer, Marietjie J.; Van Sittert, Cornelia G.C.E.; Santos-Carballal, David; Cadi-Essadek, Abdelaziz; De Leeuw, Nora H. (MDPI, 2020)

Given the importance of SO2 as a pollutant species in the environment and its role in the hybrid sulphur (HyS) cycle for hydrogen production, we carried out a density functional theory study of its interaction with the Pt ...