Solid-state DFT-assisted Raman study of titaniate nanostructures
Authors:
- Katarzyna Łuczyńska-Szymczak,
- Wojciech Starosta,
- Kacper Drużbicki
Abstract
(Figure Presented) The first principle solid-state computations in frame of Density Functional Theory have been employed to analyze the Raman spectra of typical titaniate nanostructures. The Raman scattering studies of the nanotitaniates synthesised hydrothermally at different temperature conditions are reported. Local Density Approximation in combination with linear-response computations have delivered detailed analysis of Raman spectra based on the reference Na2Ti3O7 and NaHTi3O 7 structures. The interpretation of the most prominent spectral features commonly reported in the literature have been postulated. © 2013 Elsevier B.V. All rights reserved.
- Record ID
- UAMab72172c04d840afa9bb56f8e49a61c4
- Author
- Journal series
- Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425
- Issue year
- 2013
- Vol
- 116
- Pages
- 646-650
- ASJC Classification
- ; ; ;
- DOI
- DOI:10.1016/j.saa.2013.08.034 opening in a new tab
- Language
- en English
- Score (nominal)
- 30
- Score source
- journalList
- Score
- Publication indicators
- = 4; : 2013 = 1.154; : 2013 = 2.129 (2) - 2013=2.163 (5)
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- Uniform Resource Identifier
- https://researchportal.amu.edu.pl/info/article/UAMab72172c04d840afa9bb56f8e49a61c4/
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