Title: Computational Nano-materials and Catalysis
Funder
Engineering and Physical Sciences Research Council
Principal Investigator
Co-Investigators
De Leeuw, Nora
Project Details
Start date: 01/10/2017
End date: 30/09/2020
- Adsorption of Oxygen on Low Miller index Surfaces of hcp Cobalt (2018)
- AuCo nanoparticles: ordering, magnetisation, and morphology trends predicted by DFT - data (2022)
- Binding Modes of Carboxylic Acids on Cobalt Nanoparticles - dataset (2019)
- Effect of coverage on the magnetic properties of -COOH,-SH, and -NH2 ligand-protected cobalt nanoparticles - data (2021)
- First-principles DFT Insights into the Stabilization of Zinc Diphosphide (ZnP2) Nanocrystal via Surface Functionalisation by 4-Aminothiophenol for Photovoltaic Applications - data (2022)