Van der Waals density functional study of the energetics of alkali metal intercalation in graphite
By Zhaohui Wang, S. Selbach, T. Grande. 2014
227 citations recorded by the source corpus.
Subfields: Electrical and Electronic Engineering, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/86a9de4d15655158a9103e45400c12ac109e44db
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In Electrical and Electronic Engineering
In Materials Chemistry
Citations in the corpus
- The state of understanding of the lithium-ion-battery graphite solid electrolyte interphase (SEI) and its relationship to formation cycling (2016, methodology): “Computed graphene interlayer binding energy significantly varies depending on DFT functionals [192].”
- Hard carbons for sodium-ion batteries and beyond (2020, background): “Grande et al [33] also found, based on van der Waals density functional theory (DFT) calculations, that the formation enthalpies are positive for NaC6 or NaC8 but negative for LiC6, implying that the formation of Na-rich GICs requires a negative redox potential vs. Na+/Na [34, 35].”