The crystal structure of vanadium pentoxide

Bachmann, H. G.; Ahmed, F.R.; Barnes, W. H.

doi:10.1524/zkri.1961.115.1-2.110

Cited by 467 publications

(65 citation statements)

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“…A slight shortening of the a separation and a slight increase of the c separation (corresponding to the interlayer separation in the structure of V205 [26], Fig. 6) is characteristic for a topotactic insertion in V205, see, e.g., the structural study of electrochemically formed Mg0.2V2O5 bronze [10].…”

Section: Introductionmentioning

confidence: 95%

Magnesium Insertion in Vanadium Oxides: A Structural Study

Novák¹,

Shklover²,

Nesper³

1994

Zeitschrift Für Physikalische Chemie

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Section: Introductionmentioning

confidence: 95%

Magnesium Insertion in Vanadium Oxides: A Structural Study

Novák¹,

Shklover²,

Nesper³

1994

Zeitschrift Für Physikalische Chemie

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“…Its crystal structure also consists of weakly bonded layers but has orthorhombic symmetry, and, in addition, it has certain one-dimensional structural aspects. 2 It consists of zig-zag double chains bonded together with bridge oxygens. The crystal structure is shown in Fig.…”

Section: Introductionmentioning

confidence: 99%

Quasiparticle self-consistentGWcalculations of the electronic band structure of bulk and monolayerV2O5

2015

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Quasiparticle self-consistent (QS) GW calculations are performed for bulk and monolayer V2O5. The orbital character of the bands and the bulk monolayer difference at the LDA level are discussed first. We find that the QSGW self-energy overestimates the gap by an unusually large amount. The main reason for this is identified to be the lattice polarization effect: the large LO-TO splittings in this polar material enhance the screening and reduce the screened Coulomb interaction affecting the gap. The effect is estimated to reduce the screened Coulomb interaction and hence the self-energy by a factor 0.38 (for bulk) and brings the calculated optical response functions in fairly good agreement with experiment. For monolayer V2O5, we find that the QSGW gap varies as 1/L with L the size of the spacing between the monolayers in a supercell. This results from the long-range nature of the self-energy Σ = iGW and the similar 1/L behavior of the dielectric screening.

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“…It is well known that V 2 O 5 has an orthorhombic layered structure built up from square pyramids which share edges and corners and which lead to V 2 O 5 sheets linked together via weak V-O interactions parallel to the "c"-axis [15]. Based on these similarities, we propose the same P mmn space group position.…”

Section: Resultsmentioning

confidence: 97%

X-ray powder diffraction study of chromium-vanadium oxide compounds prepared by “soft chemistry” methods

et al. 2006

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A novel aqueous method was used to synthesise mixed chromium-vanadium oxide hydrates with various chromium content, via the reaction of peroxo-polyacids of chromium and vanadium. The resulting materials are gelatinous. The dehydration of the gels result in a brown coloured amorphous powder. Depending on the chromium content, the compounds have a different characteristic crystallisation temperature upon the further heating. The crystalline compounds, except for the low chromium ones, go on a phase transition and decompose with increasing temperature. By refining the XRPD measurement data of the compounds, the type and parameters of the unit cells were determined. The experimental data were in concordance with the calculated values, using the PWC code. The lattice parameters and the crystalline structure were changed with the variation of chromium content.

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The crystal structure of vanadium pentoxide

Cited by 467 publications

References 0 publications

Magnesium Insertion in Vanadium Oxides: A Structural Study

Magnesium Insertion in Vanadium Oxides: A Structural Study

Quasiparticle self-consistentGWcalculations of the electronic band structure of bulk and monolayerV2O5

X-ray powder diffraction study of chromium-vanadium oxide compounds prepared by “soft chemistry” methods

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