ORCA
Online Research @ Cardiff
Browse by Current Cardiff authors
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Number of items: 11.
Farkas, Barbara, Terranova, Umberto and de Leeuw, Nora H.
2020.
Binding modes of carboxylic acids on cobalt nanoparticles.
Physical Chemistry Chemical Physics
22
(3)
, pp. 985-996.
10.1039/C9CP04485J
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| Mitchell, Claire, Terranova, Umberto, AlShibane, Ihfaf, Morgan, David John, Davies, Thomas, He, Qian, Hargreaves, Justin, Sankar, Meenakshisundaram and De Leeuw, Nora Henriette 2019. Liquid phase hydrogenation of CO2 to formate using palladium and ruthenium nanoparticles supported on molybdenum carbide. New Journal of Chemistry 43 , pp. 13985-13997. 10.1039/C9NJ02114K |
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Gambu, Thobani G., Terranova, Umberto, Santos Carballal, David, Petersen, Melissa A., Jones, Glenn, van Steen, Eric and de Leeuw, Nora H.
2019.
Thermal properties and segregation behavior of Pt Nanowires modified with Au, Ag, and Pd Atoms: a classical molecular dynamics study.
Journal of Physical Chemistry C
123
(33)
, pp. 20522-20531.
10.1021/acs.jpcc.9b02730
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Botha, Louise M., Santos-Carballal, David, Terranova, Umberto, Quesne, Matthew G., Ungerer, Marietjie J., van Sittert, Cornelia G. C. E. and De Leeuw, Nora H.
2019.
Mixing thermodynamics and electronic structure of the Pt1−xNix (0 ≤ x ≤ 1) bimetallic alloy.
RSC Advances
9
(30)
, pp. 16948-16954.
10.1039/C9RA02320H
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| Santos Carballal, David, Posada-Pérez, Sergio, Terranova, Umberto, Roldan Martinez, Alberto, Illas, Francesc and De Leeuw, Nora 2018. CO2 interaction with violarite (FeNi2S4) surfaces: a dispersion-corrected DFT study. Physical Chemistry Chemical Physics 20 (31) , pp. 20439-20446. 10.1039/C8CP03430C |
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| Matamoros-Veloza, Adriana, Cespedes, Oscar, Johnson, Benjamin R. G., Stawski, Tomasz M., Terranova, Umberto, de Leeuw, Nora H. and Benning, Liane G. 2018. A highly reactive precursor in the iron sulfide system. Nature Communications 9 (1) , 3125. 10.1038/s41467-018-05493-x |
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| Terranova, Umberto, Mitchell, Claire, Meenakshisundaram, Sankar, Morgan, David John and De Leeuw, Nora H. 2018. Initial oxygen incorporation in the prismatic surfaces of troilite FeS. Journal of Physical Chemistry C 122 (24) , pp. 12810-12818. 10.1021/acs.jpcc.8b02774 |
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| Mancardi, Giulia, Hernandez Tamargo, Carlos, Terranova, Umberto and De Leeuw, Nora H. 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. 10.1021/acs.langmuir.8b00984 |
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| Terranova, Umberto and De Leeuw, Nora H. 2017. Phase stability and thermodynamic properties of FeS polymorphs. Journal of Physics and Chemistry of Solids 111 , pp. 317-323. 10.1016/j.jpcs.2017.07.033 |
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| Terranova, Umberto and de Leeuw, Nora 2016. Structure and dynamics of water at the mackinawite (001) surface. Journal of Chemical Physics 144 (9) , 094706. 10.1063/1.4942755 |
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| Terranova, Umberto and de Leeuw, Nora 2016. A force field for mackinawite surface simulations in an aqueous environment. Theoretical Chemistry Accounts 135 (3) , 46. 10.1007/s00214-015-1782-8 |
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