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Phonon Structure, Infra-Red and Raman Spectra of Li(2)MnO(3) by First-Principles Calculations

The layer-structured monoclinic Li(2)MnO(3) 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 density functional theory (DFT) to study the...

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Detalles Bibliográficos
Autores principales:	Pulido, Ruth, Naveas, Nelson, Martin-Palma, Raúl J., Agulló-Rueda, Fernando, Ferró, Victor R., Hernández-Montelongo, Jacobo, Recio-Sánchez, Gonzalo, Brito, Ivan, Manso-Silván, Miguel
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9502259/ https://www.ncbi.nlm.nih.gov/pubmed/36143549 http://dx.doi.org/10.3390/ma15186237

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