Density functional theory-based ab initio molecular dynamics simulation of ionic conduction in N-/F-doped ZrO2 under epitaxial strain
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DOI: 10.1016/j.commatsci.2018.07.038
Abstract: Abstract In this study, we investigated oxide ion conduction in N-/F-doped ZrO2 systems under tensile epitaxial strain by ab initio molecular dynamics (MD) simulations. In our previous study, we discussed the effects of lattice strain,… read more here.
Keywords: oxide ion; conduction doped; zro2; doped zro2 ... See more keywords