Items where authors include "Terranova, U"

Article

Farkaš, B, Terranova, U and De Leeuw, NH orcid.org/0000-0002-8271-0545 (2021) The mechanism underlying the functionalisation of cobalt nanoparticles by carboxylic acids: a first-principles computational study. Journal of Materials Chemistry B, 9 (24). pp. 4915-4928. ISSN 2050-750X

Malatji, KT, Santos-Carballal, D orcid.org/0000-0002-3199-9588, Terranova, U et al. (2 more authors) (2021) Controlling the Lithium Intercalation Voltage in the Li(Mn1-xNix)₂O₄ Spinel via Tuning of the Ni Concentration: a Density Functional Theory Study. South African Journal of Chemistry, 74. pp. 3-7. ISSN 0379-4350

Meerholz, K, Santos-Carballal, D orcid.org/0000-0002-3199-9588, Terranova, U et al. (3 more authors) (2021) Thermodynamics of the Atomic Distribution in Pt3Pd2, Pt2Pd3 and their Corresponding (111) Surfaces. The South African Journal of Chemistry, 74. pp. 36-41. ISSN 0379-4350

Mitchell, C, Terranova, U, Beale, AM et al. (4 more authors) (2020) Surface Oxidized Fe-S catalyst for the Liquid Phase Hydrogenation of CO2. Catalysis Science and Technology. ISSN 2044-4761

Terranova, U, Viñes, F, de Leeuw, NH orcid.org/0000-0002-8271-0545 et al. (1 more author) (2020) Mechanisms of carbon dioxide reduction on strontium titanate perovskites. Journal of Materials Chemistry A, 8 (18). pp. 9392-9398. ISSN 2050-7488

Farkaš, B, Terranova, U and de Leeuw, NH orcid.org/0000-0002-8271-0545 (2020) Binding modes of carboxylic acids on cobalt nanoparticles. Physical Chemistry Chemical Physics, 22 (3). pp. 985-996. ISSN 1463-9076

Mitchell, CE, Terranova, U, Alshibane, I et al. (6 more authors) (2019) Liquid phase hydrogenation of CO2 to formate using palladium and ruthenium nanoparticles supported on molybdenum carbide. New Journal of Chemistry, 43 (35). pp. 13985-13997. ISSN 1144-0546

Gambu, TG, Terranova, U, Santos-Carballal, D et al. (4 more authors) (2019) Thermal Properties and Segregation Behavior of Pt Nanowires Modified with Au, Ag, and Pd Atoms: A Classical Molecular Dynamics Study. The Journal of Physical Chemistry C, 123 (33). pp. 20522-20531. ISSN 1932-7447

Botha, LM, Santos-Carballal, D, Terranova, U et al. (4 more authors) (2019) Mixing thermodynamics and electronic structure of the Pt1−xNix (0 ≤ x ≤ 1) bimetallic alloy. RSC Advances, 9 (30). pp. 16948-16954. ISSN 2046-2069

Mancardi, G, Hernandez Tamargo, C, Terranova, U et al. (1 more author) (2018) Calcium Phosphate Deposition on Planar and Stepped (101) Surfaces of Anatase TiO2: Introducing an Interatomic Potential for the TiO2/Ca-PO4/Water Interface. Langmuir, 34 (34). pp. 10144-10152. ISSN 0743-7463

Posada-Pérez, S, Santos-Carballal, D, Terranova, U et al. (3 more authors) (2018) CO2 interaction with violarite (FeNi2S4) surfaces: a dispersion-corrected DFT study. Physical Chemistry Chemical Physics, 20 (31). pp. 20439-20446. ISSN 1463-9076

Matamoros Veloza, A orcid.org/0000-0002-3870-9141, Cespedes, O, Johnson, BRG et al. (4 more authors) (2018) A highly reactive precursor in the iron sulfide system. Nature Communications, 9. 3125. ISSN 2041-1723

Terranova, U, Mitchell, C, Sankar, M et al. (2 more authors) (2018) Initial Oxygen Incorporation in the Prismatic Surfaces of Troilite FeS. The Journal of Physical Chemistry C, 122 (24). pp. 12810-12818. ISSN 1932-7447

Terranova, U and de Leeuw, NH orcid.org/0000-0002-8271-0545 (2017) Phase stability and thermodynamic properties of FeS polymorphs. Journal of Physics and Chemistry of Solids, 111. pp. 317-323. ISSN 0022-3697

Mancardi, G, Terranova, U and de Leeuw, NH orcid.org/0000-0002-8271-0545 (2016) Calcium Phosphate Prenucleation Complexes in Water by Means of ab Initio Molecular Dynamics Simulations. Crystal Growth & Design, 16 (6). pp. 3353-3358. ISSN 1528-7483