Multivariate Curve Resolution Analysis for Interpretation of Dynamic Cu K-Edge X-ray Absorption Spectroscopy Spectra for a Cu Doped V2O5 Lithium Battery

Vanadium pentoxide materials prepared through sol−gel processes act as excellent intercalation hosts for lithium as well as polyvalent cations. A chemometric approach has been applied to study the X-ray absorption near-edge structure (XANES) evolution during in situ scanning of the Cu0.1V2O5 xerogel...

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Bibliographic Details
Published in:Analytical chemistry (Washington) 2010-05, Vol.82 (9), p.3629-3635
Main Authors: Conti, Paolo, Zamponi, Silvia, Giorgetti, Marco, Berrettoni, Mario, Smyrl, William H
Format: Article
Language:English
Subjects:
ABSORPTION
ABSORPTION SPECTROSCOPY
Analytical chemistry
Applied sciences
BATTERY CHARGING
CATIONS
Chemistry
ELECTRIC BATTERIES
ENERGY STORAGE
Exact sciences and technology
FINE STRUCTURE
Global environmental pollution
LITHIUM
national synchrotron light source
Pollution
RESOLUTION
SPECTRA
Spectrometric and optical methods
VANADIUM
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Summary:Vanadium pentoxide materials prepared through sol−gel processes act as excellent intercalation hosts for lithium as well as polyvalent cations. A chemometric approach has been applied to study the X-ray absorption near-edge structure (XANES) evolution during in situ scanning of the Cu0.1V2O5 xerogel/Li ions battery. Among the more common techniques, the fixed size windows evolving factor analysis (FSWEFA) permits the number of species involved in the experiment to be determined and the range of existence of each of them. This result, combined with the constraints of the invariance of the total concentration and non-negativity of both concentrations and spectra, enabled us to obtain the spectra of the pure components using a multivariate curve resolution refined by an alternate least squares fitting procedure. This allowed the normalized concentration profile to be understood. This data treatment evidenced the occurrence, for the first time, of three species during the battery charging. This fact finds confirmation by comparison of the pure spectra with the experimental ones. Extended X-ray absorption fine structure (EXAFS) analysis confirms the occurrence of three different chemical environments of Cu during battery charging.
ISSN:0003-2700
1520-6882
DOI:10.1021/ac902865h