INVESTIGADORES
VACA CHAVEZ FORNASERO Fabian
artículos
Título:
MAS NMR and DFT study of electrochemical performance of silicon nanoparticle as anodes for Li-ion batteries
Autor/es:
RUDERMAN, ANDRES; PRIMO, EMILIANO; BRACAMONTE, M. VICTORIA; LUQUE, GUILLERMINA L.; MONTI, GUSTAVO A.; BARRACO, DANIEL E.; VACA CHÁVEZ, FABIÁN
Revista:
JOURNAL OF POWER SOURCES
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Lugar: Amsterdam; Año: 2023 vol. 574
ISSN:
0378-7753
Resumen:
In this work we have investigated the effect of slurry pH on the lithiation mechanism of silicon nanoparticle(SiNP) anodes in lithium-ion batteries. To this end, we have used a combination of lithium (7Li) and silicon(29Si) magic angle spinning nuclear magnetic resonance (MAS NMR), density functional theory (DFT), andelectrochemical chargedischarge cycling. The NMR results show that different lithiation mechanisms arepresent depending on the pH. An acidic slurry facilitates the lithiation of SiNP, whereas a basic slurry oxidisesthe SiNP to form a shell of SiO/SiO2, which must be cracked before Si lithiation becomes relevant. In a basicslurry, the leading process during the first cycle is the reaction of Li+ and SiO/SiO2 to form lithium silicates.Consequently, this intermediate step leads to a greater capacity loss in the basic media than in the acidic one.