Research data supporting "A predictive modelling study of the impact of chemical doping on the strength of a Ag/ZnO interface"
Repository URI
Repository DOI
Change log
Authors
Bristowe, PD
Description
The data and lattice structures used to calculate the interfacial adhesion and bond populations are available in this dataset.
Version
Software / Usage instructions
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
Publisher
Sponsorship
Engineering and Physical Sciences Research Council (EP/P022596/1)