Phonon Structure, Infra-Red and Raman Spectra of Li<sub>2</sub>MnO<sub>3</sub> by First-Principles Calculations

Phonon Structure, Infra-Red and Raman Spectra of Li<sub>2</sub>MnO<sub>3</sub> by First-Principles Calculations

The layer-structured monoclinic Li<sub>2</sub>MnO<sub>3</sub> is a key material, mainly due to its role in Li-ion batteries and as a precursor for adsorbent used in lithium recovery from aqueous solutions. In the present work, we used first-principles calculations based on de...

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Bibliographic Details
Main Authors: Ruth Pulido, Nelson Naveas, Raúl J. Martin-Palma, Fernando Agulló-Rueda, Victor R. Ferró, Jacobo Hernández-Montelongo, Gonzalo Recio-Sánchez, Ivan Brito, Miguel Manso-Silván
Format: Article
Language:English
Published: MDPI AG 2022-09-01
Series:Materials
Subjects:
Li<sub>2</sub>MnO<sub>3</sub>
DFT
DFPT
Raman spectroscopy
IR spectroscopy
Online Access:https://www.mdpi.com/1996-1944/15/18/6237

Internet

https://www.mdpi.com/1996-1944/15/18/6237

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