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Online Research @ Cardiff
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Farkas, Barbara and de Leeuw, Nora H.  ORCID: https://orcid.org/0000-0002-8271-0545
2022.
AuCo nanoparticles: ordering, magnetisation, and morphology trends predicted by DFT.
Physical Chemistry Chemical Physics
24
(17)
, pp. 10451-10464.
10.1039/D2CP00648K
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Farkas, Barbara, Živković, Aleksandar ORCID: https://orcid.org/0000-0003-1347-6203, Uahengo, Veikko, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545
2022.
First-principles DFT insights into the stabilization of zinc diphosphide (ZnP2) nanocrystals via surface functionalization by 4-aminothiophenol for photovoltaic applications.
ACS Applied Energy Materials
5
(2)
, pp. 2318-2328.
10.1021/acsaem.1c03804
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Farkas, Barbara
2021.
Computational nano-materials and catalysis:
Modelling of structural and magnetic properties of
bare and ligand-protected cobalt nanoparticles.
PhD Thesis,
Cardiff University.
Item availability restricted. |
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Farkas, Barbara and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545
2021.
A perspective on modelling metallic magnetic nanoparticles in biomedicine: From monometals to nanoalloys and ligand-protected particles.
Materials
14
(13)
, 3611.
10.3390/ma14133611
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Farkas, Barbara and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545
2021.
Effect of coverage on the magnetic properties of -COOH, -SH, and -NH2 ligand-protected cobalt nanoparticles.
Nanoscale
13
(27)
, pp. 11844-11855.
10.1039/D1NR01081F
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Farkaš, Barbara, Perry, Christopher B., Jones, Glenn and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545
2020.
Adsorbate-induced segregation of cobalt from PtCo nanoparticles: modeling Au doping and core AuCo alloying for the improvement of fuel cell cathode catalysts.
Journal of Physical Chemistry C
124
(33)
, pp. 18321-18334.
10.1021/acs.jpcc.0c04460
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Farkaš, Barbara and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545
2020.
Towards a morphology of cobalt nanoparticles: size and strain effects.
Nanotechnology
31
(19)
, 195711.
10.1088/1361-6528/ab6fe0
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Farkas, Barbara, Terranova, Umberto and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545
2020.
Binding modes of carboxylic acids on cobalt nanoparticles.
Physical Chemistry Chemical Physics
22
(3)
10.1039/C9CP04485J
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Farkas, Barbara, Santos Carballal, David ORCID: https://orcid.org/0000-0002-3199-9588, Cadi Essadek, Abdelaziz and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545
2019.
A DFT+U study of the oxidation of cobalt nanoparticles: Implications for biomedical applications.
Materialia
7
, p. 100381.
10.1016/j.mtla.2019.100381
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Živković, Aleksandar ORCID: https://orcid.org/0000-0003-1347-6203, Farkas, Barbara, Uahengo, Veikko, De Leeuw, Nora H ORCID: https://orcid.org/0000-0002-8271-0545 and Dzade, Nelson Y ORCID: https://orcid.org/0000-0001-7733-9473
2019.
First-principles DFT insights into the structural, elastic, and optoelectronic properties of α and β-ZnP2: implications for photovoltaic applications.
Journal of Physics: Condensed Matter
31
(26)
, -.
10.1088/1361-648X/ab111c
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