Research data supporting "A predictive modelling study of the impact of chemical doping on the strength of a Ag/ZnO interface"
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Wang, T., & Bristowe, P. (2018). Research data supporting "A predictive modelling study of the impact of chemical doping on the strength of a Ag/ZnO interface" [Dataset]. https://doi.org/10.17863/CAM.25930
The data and lattice structures used to calculate the interfacial adhesion and bond populations are available in this dataset.
These data files can be opened or edited by any text editor. The lattice structure files can also be visualised using VESTA or CrystalMaker. These files can be used as input files for computational package VASP.
Ag/ZnO interface, Interfacial adhesion, Dopant segregation, Ag inter-diffusion, DFT calculations
Publication Reference: https://doi.org/10.1063/1.5051987
Engineering and Physical Sciences Research Council (EP/P022596/1)
This record's DOI: https://doi.org/10.17863/CAM.25930
Attribution 4.0 International (CC BY 4.0)
Licence URL: https://creativecommons.org/licenses/by/4.0/