Quantum chemical calculations of lithium-ion battery electrolyte and interphase species

oleh: Evan Walter Clark Spotte-Smith, Samuel M. Blau, Xiaowei Xie, Hetal D. Patel, Mingjian Wen, Brandon Wood, Shyam Dwaraknath, Kristin Aslaug Persson

Format: Article
Diterbitkan: Nature Portfolio 2021-08-01

Deskripsi

Measurement(s) molecule • solid electrolyte interphase Technology Type(s) density functional theory • computational modeling technique Factor Type(s) bond type • charge • spin multiplicity Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.14915256