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Updated: Jul 13, 2026

Atomic Layer Deposition of Vanadium Dioxide and a Temperature-dependent Optical Model
Published on: May 23, 2018
A spectroscopic and computational investigation of the vanadomolybdate local structure in the lyonsite phase
Jared P Smit1, Hack-Sung Kim, Ian Saratovsky
1Department of Chemistry, Northwestern University, Evanston, IL 60208, USA.
Abstract:
The vibrational spectrum of Mg2.5VMoO8 obtained by quantum mechanical simulation is compared with the experimentally observed Raman spectrum. This simulation suggests that the observed band at 1016 cm(-1) is attributed to the Mo=O-Mg stretching from two-coordinate oxygen atoms that are adjacent to Mg2+ cation vacancies. Extended X-ray absorption fine structure spectroscopy supports the structural model used to simulate the vibrational modes in Mg2.5VMoO8 that match the observed Raman data.
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