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Figure 2. a) Schematic illustration of the synthesis process of the MCM/Nb2O5/S composite. b) Binding geometric configurations and energies of a Li2S6 molecule with two-layer graphene and Nb2O5, which is derived from ab initio calculations based on DFT. c) Conformation of the binding system. d) Visual confirmation of polysulfide entrapment at specific discharge depths (75S/KB, top; and 75S/MnO2, bottom). e) Optimized configurations for the binding of S, polysulfides, and Li2S to the MnO2. f) The binding energies of lithium polysulfides at six different lithiation stages with MnO2. a-c) Reproduced with permission. [49] Copyright 2016, Royal Society of Chemistry. d) Reproduced with permission.[50] Copyright 2015, Nature Publishing Group. e,f) Reproduced with permission. [51] Copyright 2016, Royal Scoeity of Chemistry. 29PDF Image | Advances in Polar Materials for Lithium-Sulfur Batteries
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