Anion ordering and vacancy defects in niobium perovskite oxynitrides
نویسندگان
چکیده
First-principles calculations predict the stability and mobility of vacancy defects in niobium perovskite oxynitrides, aiding defect engineering for enhanced photocatalysis.
منابع مشابه
Anion ordering and defect structure in Ruddlesden-Popper strontium niobium oxynitrides.
The crystal structure of the n = 1 member of the Ruddlesden-Popper family (SrO)(SrNbO(2)N)(n) was refined by the Rietveld method using neutron powder diffraction data. This complex crystallizes in the I4/mmm space group with cell parameters a = 4.0506(2) and c = 12.5936(9) angstroms. The refined composition was Sr(2)NbO(3.28)N(0.72), which corresponds to a formal oxidation state for Nb of +4.72...
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ژورنال
عنوان ژورنال: Materials advances
سال: 2021
ISSN: ['2633-5409']
DOI: https://doi.org/10.1039/d1ma00122a