A comparative theoretical study on the vibrational spectra of V 2 O 5 · n H 2 O

Physical Chemistry Chemical Physics 2026

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Authors: Shuang Yu, Xiaodong Zhang, Qiang Zhan, Hao Yu, Bo Zhou
DOI: 10.1039/d5cp04227e
Cited by: 0
References: 47

Abstract

First-principles calculations confirm that the peak observed at 890 cm −1 in bilayer V 2 O 5 · n H 2 O arises from the vibrational modes of water tetramers, with the density of states for these modes increasing correspondingly with increasing water content.

Fields of Study & Subjects

Spectroscopy and Quantum Chemical Studies Transition Metal Oxide Nanomaterials Advanced Chemical Physics Studies

Publication details

Journal / source
Physical Chemistry Chemical Physics
Volume
28
Issue
6
Pages
4229–4241
Publication date
1 January 2026
Language
EN