Cathodes pinpoints for the next generation of energy storage devices: the LiFePO4 case study

• Tipo: Artigo em Revista Científica Internacional
• Data: 2024

Autores

Beatriz Arouca Maia (Autor) FEUP; Beatriz Moura Gomes (Autor) FEUP; Antonio Nuno Guerreiro (Autor) FEUP; Raquel Miriam Santos (Autor) Outra; Maria Helena Braga (Autor) FEUP

Revista

A Revista está pendente de validação pelos Serviços Administrativos.

Título: JOURNAL OF PHYSICS-MATERIALS

Vol. 7

ISSN: 2515-7639

Indexação

ISI Web of Knowledge - 0 Citações

ISI Web of Science

Scopus - 0 Citações

Projetos Associados

CVB - CVB - Cadeia de Valor das Baterias em Portugal

LAETA2023 - Programático - ET - Emerging Technologies - LAETA2023 - Programático - ET - Emerging Technologies

LAETA - Laboratório Associado de Energia, Transportes e Aeronáutica

NGS -New Generation Storage - NGS -New Generation Storage

MatER - MatER - Materials for Energy Research Group

RedoxMOFs - Redox-active Metal-Organic Frameworks as Electrode Materials for Lithium-Ion Batteries

PULSELiON - PUlsed Laser depoSition tEchnology for soLid State battery manufacturIng supported by digitalizatiON

Outras Informações

ID Authenticus: P-00Z-ZVT

DOI: 10.1088/2515-7639/ad218c

Abstract (EN): There are still essential aspects regarding cathodes requiring a comprehensive understanding. These include identifying the underlying phenomena that prevent reaching the theoretical capacity, explaining irreversible losses, and determining the cut-off potentials at which batteries should be cycled. We address these inquiries by investigating the cell's capacity and phase dynamics by looking into the transport properties of electrons. This approach underlines the crucial role of electrons in influencing battery performance, similar to their significance in other materials and devices such as transistors, thermoelectrics, or superconductors. We use lithium iron phosphate LFP as a case study to demonstrate that understanding the electrochemical cycling behavior of a battery cell, particularly a Li//LFP configuration, hinges on factors like the total local potentials used to calculate chemical potentials, electronic density of states (DOS), and charge carrier densities. Our findings reveal that the stable plateau potential difference is 3.42 V, with maximum charge and minimum discharge potentials at 4.12 V and 2.80 V, respectively. The study illustrates the dynamic formation of metastable phases at a plateau voltage exceeding 3.52 V. Moreover, we establish that determining the working chemical potentials of elements like Li and Al can be achieved by combining their workfunction and DOS analysis. Additionally, we shed light on the role of carbon black beyond conductivity enhancement. Through Density functional theory (DFT) calculations and experimental methods involving scanning Kelvin probe (SKP) and electrochemical analysis, we comprehensively examine various materials, including Li, C, Al, Cu, LFP, FePO4, Li0.25FePO4, polyvinylidene fluoride, and Li6PS5Cl. The insights derived from this study, which solely rely on electrical properties, have broad applicability to all cathodes and batteries. They provide valuable information for efficiently selecting optimal formulations and conditions for cycling batteries.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 14