Research data supporting "A predictive modelling study of the impact of chemical doping on the strength of a Ag/ZnO interface"
Description
The data and lattice structures used to calculate the interfacial adhesion and bond populations are available in this dataset.
Format
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.
Keywords
Ag/ZnO interface, Interfacial adhesion, Dopant segregation, Ag inter-diffusion, DFT calculations
Relationships
Publication Reference: https://doi.org/10.1063/1.5051987
Sponsorship
EPSRC (EP/P022596/1)
Identifiers
This record's DOI: https://doi.org/10.17863/CAM.25930
Rights
Attribution 4.0 International, Attribution 4.0 International, Attribution 4.0 International, Attribution 4.0 International, Attribution 4.0 International, Attribution 4.0 International, Attribution 4.0 International, Attribution 4.0 International, Attribution 4.0 International, Attribution 4.0 International
Licence URL: http://creativecommons.org/licenses/by/4.0/http://creativecommons.org/licenses/by/4.0/http://creativecommons.org/licenses/by/4.0/http://creativecommons.org/licenses/by/4.0/http://creativecommons.org/licenses/by/4.0/http://creativecommons.org/licenses/by/4.0/http://creativecommons.org/licenses/by/4.0/http://creativecommons.org/licenses/by/4.0/http://creativecommons.org/licenses/by/4.0/http://creativecommons.org/licenses/by/4.0/
Except where otherwise noted, this item's licence is described as Attribution 4.0 International