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A DFT + U study of structure and reducibility of CenO2n−x (n ⩽ 4, 0 ⩽ x ⩽ n) nanoclusters

✍ Scribed by Donghai Mei; Qingfeng Ge

Book ID
116380034
Publisher
Elsevier
Year
2012
Tongue
English
Weight
941 KB
Volume
987
Category
Article
ISSN
2210-271X

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As revealed in the powder X-ray diffraction and crystallographic data, the parent compound LaPtSi, which crystallizes in the LaPtSi-type structure (I4 1 md), admits considerable vacancies up to 20% on the Pt sublattice while still retaining its tetragonal symmetry. The refined lattice parameters sho