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2024
DOI: 10.1007/s11051-023-05876-2
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Effect of Zr substitution on structural, electronic, thermodynamic and optical properties of $$(\textrm{HfO}_2)_{\text{p}}$$ clusters: a DFT study of $$(\textrm{HfO}_2)_{\textrm{p}}$$ and $$\textrm{Hf}_{\textrm{q}} \textrm{Zr}_{\text {r}} \textrm{O}_{2(\textrm{q}+\textrm{r})}$$ clusters

Shilpa Kashyap,
Kriti Batra
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