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Thermodynamics (Catalysis and enzymology)
Lithium-Ion batteries (Energy Storage)
Catalytic Mixed Oxides (Catalysis and Applied Catalysis)
Materials Sciences
Computational chemistry (Tools for the biosciences)
Date (year) of data becoming publicly available
2020
2019
2018
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2016
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Research Datasets (8)
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Substitutional doping with Ag of the zinc oxide ZnO(10-10) surfaces - data
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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
.
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