Skip to main content
. 2017 Mar 31;4(8):1700032. doi: 10.1002/advs.201700032

Figure 12.

Figure 12

Supercells used and projected density of states (PDOS) obtained in quantum mechanical DFT‐MD simulations on non‐aqueous (a) dilute (0.4 m) and (b) superconcentrated (4.2 m) LiTFSI/AN solutions. Reproduced with permission.[[qv: 11b]] Copyright 2014 American Chemical Society. (c) Predicted reduction potential from G4MP2 quantum chemistry calculations and (d) PDOS for LiTFSI/H2O electrolyte from HSE06 DFT calculations. Reproduced with permission.20 Copyright 2015, American Association for the Advancement of Science.