2 papers
physics.chem-ph2018
Identifying the Structural Basis for the Increased Stability of the Solid Electrolyte Interphase Formed on Silicon with the Additive Fluoroethylene Carbonate
Yanting Jin, Nis-Julian H. Kneusels, Pieter C. M. M. Magusin +8
To elucidate the role of fluoroethylene carbonate (FEC) as an additive in the standard carbonate-based electrolyte for Li-ion batteries, the solid electrolyte interphase (SEI) form…
cond-mat.mtrl-sci2018
Realistic atomistic structure of amorphous silicon from machine-learning-driven molecular dynamics
Volker L. Deringer, Noam Bernstein, Albert P. Bartók +6
Amorphous silicon (a-Si) is a widely studied non-crystalline material, and yet the subtle details of its atomistic structure are still unclear. Here, we show that accurate structur…