Lattice Dynamics of β-V<sub>2</sub>O<sub>5</sub>: Raman Spectroscopic Insight into the Atomistic Structure of a High-Pressure Vanadium Pentoxide Polymorph

Baddour‐Hadjean, Rita; B. Smirnov, M.; S. Smirnov, Konstantin; Yu. Kazimirov, V.; M. Gallardo‐Amores, J.; Amador, Ulises; Elena Arroyo-de Dompablo, M.; Pereira‐Ramos, Jean‐Pierre

doi:10.1021/ic202651b

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Lattice Dynamics of β-V2O5: Raman Spectroscopic Insight into the Atomistic Structure of a High-Pressure Vanadium Pentoxide Polymorph

Published in Inorganic Chemistry • Feb 23, 2012

Authors:

Rita Baddour‐Hadjean

M. B. Smirnov

Konstantin S. Smirnov

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 experi...

Subject

Pentoxide

Chemistry

Raman spectroscopy

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