Published in
Royal Society of Chemistry, Journal of Materials Chemistry A: materials for energy and sustainability, 11(11), p. 5660-5669, 2023
DOI: 10.1039/d2ta08772c
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Vinylene carbonate reactivity at lithium metal surface: first-principles insights into the early steps of SEI formation
Journal article published in 2023 by
Francesca Fasulo 
,
Ana B. Muñoz-García ,
Arianna Massaro ,
Orlando Crescenzi,
Chen Huang,
Michele Pavone
,
Ana B. Muñoz-García ,
Arianna Massaro ,
Orlando Crescenzi,
Chen Huang,
Michele Pavone
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Abstract
Density Functional Embedding Theory (DFET) unveils the mechanism of Vinylene Carbonate (VC) degradation at the Li metal surface.