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Thermodynamics (Catalysis and enzymology)
Lithium-Ion batteries (Energy Storage)
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Materials Sciences
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Catalysis and Applied Catalysis (Catalysis and surfaces)
Materials sciences (Engineering and Physical Sciences)
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Spin Polarised Systems (Magnetism/Magnetic Phenomena)
Heterogeneous Reactions (Catalysis and Applied Catalysis)
Heterogeneous Catalysis (Catalysis and Applied Catalysis)
Computational chemistry (Tools for the biosciences)
Kinetics and Catalysis (Catalysis and Applied Catalysis)
Computational chemistry (Tools for the biosciences)
Mechanical Properties of Materials (Materials Characterisation)
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Gas Sensors (Analytical Science)
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Research Datasets (9)
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Substitutional doping with Ag of the zinc oxide ZnO(10-10) surfaces - data
-
Santos Carballal D, Cadi-Essadek A, de Leeuw NH
(
2020
).
Cardiff University
.
10.17035/d.2019.0081500252
.
DFT+U Study of the electronic, magnetic and mechanical properties of Co, CoO, and Co3O4
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Cadi-Essadek A, Roldan A, Santos-Carballal A, Ngoepe PE, de Leeuw NH
(
2018
).
Cardiff University
.
10.17035/d.2018.0061874165
.
The electronic and magnetic structures and the thermodynamics of cation distribution in the LiMn₂O₄ spinel
-
Santos Carbalal D, Ngoepe PE, de Leeuw NH
(
2017
).
Cardiff University
.
10.17035/d.2017.0032205417
.
Catalytic Water Dissociation by Greigite Fe3S4 Surfaces: DFT Study
-
Roldan A, de Leeuw NH
(
2016
).
Cardiff University
.
10.17035/d.2016.0008383220
.
CO₂ interaction with the violarite FeNi₂S₄{001} and {111} surfaces
-
Posada-Pérez S, Santos-Carballal D, Terranova U, Roldan A, Illas F, de Leeuw NH
(
2018
).
Cardiff University
.
10.17035/d.2018.0046360243
.
Substitutional doping with Ag of the zinc oxide ZnO(0001) surface - dataset
-
Santos-Carballal D, Cadi-Essadek A, de Leeuw NH
(
2019
).
Cardiff University
.
10.17035/d.2019.0081497456
.
Structural study of MFI zeolites nanosheets
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Hernandez-Tamargo C, Roldan A, de Leeuw NH
(
2016
).
Cardiff University
.
10.17035/d.2016.0008216746
.
Interaction of model natural organic matter with goethite α-FeO(OH) surfaces
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Santos Carballal D, Du Z, King HE, de Leeuw N
(
2016
).
Cardiff University
.
10.17035/d.2016.0008219810
.
Individual adsorption of arsenate and phosphate species on the magnetite Fe₃O₄(001) surface - data
-
Santos-Carballal D, de Leeuw NH
(
2021
).
Cardiff University
.
10.17035/d.2019.0081529534
.
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