Theoretical study of the electronic structure of Zr(OH)4 and the effects of impurities and defects
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DOI: 10.1016/j.commatsci.2018.10.034
Abstract: Abstract Zirconium hydroxide (Zr(OH)4) is emerging as an important material in the remediation of toxic substances. The electronic structure of Zr(OH)4, which is a major factor in photochemical applications, has been studied using ab-initio density… read more here.
Keywords: theoretical study; yield states; structure; study electronic ... See more keywords