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

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, 8 (32). pp. 16246-16264. ISSN 2050-7488

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

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