Lattice dynamics of β-V2O5: Raman spectroscopic insight into the atomistic structure of a high-pressure vanadium pentoxide polymorph

Inorganic Chemistry
R Baddour-HadjeanJ P Pereira-Ramos

Abstract

We report here the Raman spectrum and lattice dynamics study of a well-crystallized β-V(2)O(5) material prepared via a high-temperature/high-pressure (HT/HP) route, using α-V(2)O(5) as the precursor. Periodic quantum-chemical density functional theory calculations show good agreement with the experimental results and allow one to assign the observed spectral features to specific vibrational modes in the β-V(2)O(5) polymorph. Key structure-spectrum relationships are extracted from comparative analysis of the vibrational states of the β-V(2)O(5) and α-V(2)O(5) structures, and spectral patterns specific to the basic units of the two V(2)O(5) phases are proposed for the first time. Such results open the way for the use of Raman spectroscopy for the structural characterization of vanadium oxide-based host lattices of interest in the field of lithium batteries and help us to greatly understand the atomistic mechanism involved in the α-to-β phase transition of vanadium pentoxide.

References

Sep 15, 1996·Physical Review. B, Condensed Matter·D Porezag, M R Pederson
Jan 15, 1991·Physical Review. B, Condensed Matter·N Troullier, J L Martins
Jul 20, 2004·Acta Crystallographica. Section B, Structural Science·V P FilonenkoI P Zibrov
Jan 27, 2005·Chemical Reviews·M Stanley Whittingham
Nov 20, 2009·Chemical Reviews·Rita Baddour-Hadjean, Jean-Pierre Pereira-Ramos

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Citations

Apr 29, 2014·Journal of Colloid and Interface Science·D VernardouE Koudoumas
Apr 4, 2016·Journal of Colloid and Interface Science·Ediga Umeshbabu, G Ranga Rao
Aug 16, 2016·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Ediga Umeshbabu, G Ranga Rao
Jun 3, 2017·ACS Nano·Nitin MuralidharanCary L Pint
Jul 6, 2017·ACS Applied Materials & Interfaces·Sukrit SucharitakulXuan P A Gao
Apr 1, 2016·ChemPlusChem·Jian ZhengGaetano Granozzi
Jun 8, 2018·Inorganic Chemistry·Nilesh P SalkeAvesh Kumar Tyagi
Sep 14, 2021·Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences·B D NgomM Chaker

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