Items where authors include "Cadi-Essadek, A"

Article

Santos-Carballal, D orcid.org/0000-0002-3199-9588, Cadi-Essadek, A and De Leeuw, NH orcid.org/0000-0002-8271-0545 (2021) Catalytic Conversion of CO and H2 into Hydrocarbons on the Cobalt Co(111) Surface: Implications for the Fischer–Tropsch Process. Journal of Physical Chemistry C, 125 (22). pp. 11891-11903. ISSN 1932-7447

Cadi-Essadek, A, Roldan, A, Santos-Carballal, D orcid.org/0000-0002-3199-9588 et al. (3 more authors) (2021) DFT plus U Study of the Electronic, Magnetic and Mechanical Properties of Co, CoO, and Co3O4. The South African Journal of Chemistry, 74. pp. 8-16. ISSN 0379-4350

Ungerer, MJ, Santos-Carballal, D orcid.org/0000-0002-3199-9588, Cadi-Essadek, A et al. (2 more authors) (2020) Interaction of SO2 with the Platinum (001), (011), and (111) Surfaces: A DFT Study. Catalysts, 10 (5). 558. ISSN 2073-4344

Vahl, A, Lupan, O, Santos-Carballal, D orcid.org/0000-0002-3199-9588 et al. (12 more authors) (2020) Surface functionalization of ZnO:Ag columnar thin films with AgAu and AgPt bimetallic alloy nanoparticles as an efficient pathway for highly sensitive gas discrimination and early hazard detection in batteries. Journal of Materials Chemistry A. ISSN 2050-7488

Ungerer, MJ, Santos-Carballal, D, Cadi-Essadek, A et al. (2 more authors) (2019) Interaction of H2O with the Platinum Pt (001), (011), and (111) Surfaces: A Density Functional Theory Study with Long-Range Dispersion Corrections. The Journal of Physical Chemistry C, 123 (45). pp. 27465-27476. ISSN 1932-7447

Farkaš, B, Santos-Carballal, D orcid.org/0000-0002-3199-9588, Cadi-Essadek, A et al. (1 more author) (2019) A DFT+U study of the oxidation of cobalt nanoparticles: Implications for biomedical applications. Materialia, 7. 100381. ISSN 2589-1529

Postica, V, Vahl, A, Santos-Carballal, D orcid.org/0000-0002-3199-9588 et al. (9 more authors) (2019) Tuning ZnO Sensors Reactivity toward Volatile Organic Compounds via Ag Doping and Nanoparticle Functionalization. ACS Applied Materials & Interfaces, 11 (34). pp. 31452-31466. ISSN 1944-8244

Postica, V, Vahl, A, Strobel, J et al. (11 more authors) (2018) Tuning doping and surface functionalization of columnar oxide films for volatile organic compound sensing: experiments and theory. Journal of Materials Chemistry A, 6 (46). pp. 23669-23682. ISSN 2050-7488

Cadi-Essadek, A, Roldan, A, Aparicio-Anglès, X et al. (1 more author) (2018) CO2 and H2 Adsorption and Reaction at Nin/YSZ(111) Interfaces: A Density Functional Theory Study. The Journal of Physical Chemistry C, 122 (34). pp. 19463-19472. ISSN 1932-7447

Cadi-Essadek, A, Roldan, A and de Leeuw, NH orcid.org/0000-0002-8271-0545 (2018) Stability and mobility of supported Nin (n = 1–10) clusters on ZrO2(111) and YSZ(111) surfaces: a density functional theory study. Faraday Discussions, 208. pp. 87-104. ISSN 1359-6640

Cadi-Essadek, A, Roldan, A and de Leeuw, NH orcid.org/0000-0002-8271-0545 (2017) Density Functional Theory Study of Ni Clusters Supported on the ZrO2(111) Surface. Fuel Cells, 17 (2). pp. 125-131. ISSN 1615-6846

Cadi-Essadek, A, Roldan, A and de Leeuw, NH orcid.org/0000-0002-8271-0545 (2016) Density functional theory study of the interaction of H2O, CO2 and CO with the ZrO2 (111), Ni/ZrO2 (111), YSZ (111) and Ni/YSZ (111) surfaces. Surface Science, 653. pp. 153-162. ISSN 0039-6028