Computation+Materials o。PE0 SPEs non-Li based materials PAN.PVC. uture AMO SPEs a Passive- PEO.PAN Tm02.Z02. PVC.PVDF.AbO:.MOFs Springer PVDF.PMMA. P(VDF-HFP)ete. conduction PMMA. CNIs, P(VDF-HFP) Graphene ete. Handbook PEO&LiPF. SPEs CSEs SPEs@ SPEs ISEs Electrochemical PEOs:LiAsF6 A23 PEO.PAN NASICON. ® PEO6:LiSbFe Solid conduction PVC.PVDE. LISICON. PMMA. Garnet Electrolytes P(VDF-HFP) Perovskite. Energy Sulfide ete. thie-LISICON xLiS-(1-x)PaSs rLiaS-(1-x)AlS rLi2S-(1-r)SiS? AMO CRY Nitride LiPON ISEs PPP 11.Calculations in Li-lon Battery Materials LhoGePSn LiN Gesite:Sn.P MO a-LiN Oxides B-LiN rLi:0-(1-r)Sio2 Michelle D.Johannes,Con T.Lve,Karen Swider-Lyams CRY Garnet xLi2O-(1-r)B:03 LiLaZr2Ou 1 LiHZn(GeOH 12 Ge-site:SL S.P materab because it can be used to caltulate crt- 1.3 ical materlas propertles,such as olectronic and LitAL Ges-(PO La-site:Al.Mg.Fe. oni conducthity,phase stabllity with lithlumin L1.5 ALim￥，Ga无n cs and dopa IAe lustrated herein byth n.3 Feselcte Ti-Site:Pr.Nh Ti-Site Ta.Zr.TL Ge.Sa. ate the effect o时substituting for Hn c第heug 翻 35ummy 326 327 AMO:Amorphous Mater Horiz,2016,3,487. CRY:Crystalline Tha nComputation + Materials Mater Horiz, 2016, 3, 487