Kleinere Mittheilungen

Jörgensen, S. M.

doi:10.1002/prac.18770160124

Cited by 16 publications

(2 citation statements)

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“…Historically, interest on the structure and properties of platinum oxides arose in the second half of the 19 th century from the observed reactivity of the generally inert platinum metal under particularly aggressive chemical conditions. 1 A series of early studies on the crystal structures and the thermodynamical stabilities of different oxides [2][3][4][5][6] culminated in the clear identification of five pure platinum oxide phases, namely PtO, Pt 3 O 4 , α-PtO 2 , β-PtO 2 and β -PtO 2 , as well as a large number of platinate compounds. The existence of other bulk structures, such as Pt 2 O 7 or Pt 3 O 8 , 5 remains uncertain.…”

Section: Introductionmentioning

confidence: 99%

Density functional theory study of platinum oxides: From infinite crystals to nanoscopic particles

et al. 2007

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For over a century, platinum oxides find technologically relevant applications in various fields ranging from catalysis to electrochemistry and nanoelectronics. We have performed a density functional theory study of the PtO, Pt3O4, and PtO2 bulk oxide phases. In our calculations, PtO and Pt3O4 present metallic character at the simple generalized gradient approximation level. The application of Hubbard corrections to the Kohn-Sham Hamiltonian opens a small gap in the electronic band structure of PtO, but not of Pt3O4, in which metallic Pt-Pt bonds are revealed by a Bader analysis of the calculated electronic structure. These results, together with the noninteger oxidation number of the Pt ions, are indicative of metallicity of the Pt3O4 phase which may be consistent with the known metallic character of platinum bronzes. Moreover, we have calculated the relative thermodynamic stabilities of platinum oxide Wulff's particles and discussed the results in the context of catalysis. Finally, we have predicted that the formation of alpha-PtO2 nanotubes could be energetically feasible. This result is of potential interest both for nanotechnological and catalytic applications and may explain the formation of curled alpha-PtO2 sheets observed in high-resolution transmission electron microscopy images

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Section: Introductionmentioning

confidence: 99%

Density functional theory study of platinum oxides: From infinite crystals to nanoscopic particles

et al. 2007

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“…Kastle & Hill (1894) prepared sodium and potassium salts containing both benzenesulphonate and triiodide anions. These are possible analogues to the various compounds of the herapathite series (Herapath, 1857;Jorgensen, 1877), which have quinine as cation and both sulphate (or selenate) and polyiodide anions. The structure of herapathite is not known although a preliminary crystallographic study has been reported (West, 1937).…”

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confidence: 99%