Electronic properties of AlVO4 for gas sensor applications Article

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Overview

abstract

• The binary oxide AlVO4 is being proposed as a new gas sensor material. An X-ray investigation, IR spectrum analysis, resistivity and a calculation of the electronic structure of this compound have been carried out in order to determine its structural, absorptive and sensor properties. The fragment [Al3V3O23]18- is the chain chosen to study the electronic properties of AlVO4 in the framework of the frontier orbital theory and the interaction between molecules has been described by the Molecular Electrostatic Potential (MEP). The vibration analysis and the simulated infrared spectrum (IR) were calculated for the unit [Al 3V3O23]18- and a comparative analysis with the experimental spectrum of AlVO4 is also presented. © 2007 Springer Science%2bBusiness Media, LLC.

authors

• Bocelli G.
• Chumakov Y.
• Leccabue F.
• Palomares Sánchez Salvador Antonio
• Ponce-Castañeda S.
• Watts B.E.

publication date

• 2007-01-01

published in

• Journal of Materials Science  Journal

Research

keywords

• Chemical sensors; Electronic properties; Electronic structure; Infrared radiation; Molecular vibrations; Frontier orbital theory; Infrared spectrum; Molecular Electrostatic Potential (MEP); Aluminum compounds

Identity

Digital Object Identifier (DOI)

• 10.1007/s10853-007-1800-x

Additional Document Info

start page

• 8690

end page

• 8694

volume

• 42

issue

• 20