Electrical conductivity and phase diagram of the system Li2SO4Li3PO4

Thermodynamic stability and correlation with synthesis conditions, structure and phase transformations in orthorhombic and monoclinic Li2M(SO4)2 (M = Mn, Fe, Co, Ni) polymorphs

“…Previous studies have revealed the feasibility of rotational disorder of SO 4 /ClO 4 À tetrahedra for many sulfates and perchlorates, frequently referred to as a "paddle wheel" mechanism of motion of the SO 4 /ClO 4 groups. [54][55][56][57][58][59][60][61] The TGA curves of both monoclinic and orthorhombic samples show a continuous weight loss below 250-300 C due to the presence of adsorbed water (see Table 1 for water contents). Despite all sample preparations being done in the glove box, the samples seem to have picked up adsorbed water, probably due to exposure to air (for 30-60 s) while loading them into the TGA/ IR instrument and/or dropping them into the calorimeter.…”

“…The rst is based on the feasibility of SO 4 rotational disorder as observed in many sulfate-based materials. [54][55][56][57] Though the enthalpy of formation from binary sulfates is positive for both orthorhombic and monoclinic polymorphs, it is signicantly larger for the orthorhombic phase. This suggests that, for the orthorhombic phase to be stable relative to the binary sulfates, it must have higher entropy as well.…”

Ion conduction in proton- and related defect (super) ionic conductors: Mechanical, electronic and structure parameters

“…For mobile ion-type SICs, the B-curve is drawn with G = 10.8 and H = 0.85. SPCs and Li-ion conductors are also plotted on B-curve within a small scatter [46][47][48][49][50][51][52][53][54][55][56]. Impurity H + -ion [38,57,58] and O-ion defect conductors [5][6][7]17,59,60] are plotted on the A-curve that is drawn with G = 9.8 and H = 0.55.…”

Optimization of a Heterogeneous Ternary Li3PO4–Li3BO3–Li2SO4 Mixture for Li-Ion Conductivity by Machine Learning

“…However, in our theoretical prediction, it was difficult to identify the optimum composition due to computational limitations. This is the first study of ternary Li 3 PO 4 –Li 3 BO 3 –Li 2 SO 4 , though its binary parts have already been studied. − We obtained the optimum polycrystalline material with a composition of 25:14:61 (mol %) for Li 3 PO 4 –Li 3 BO 3 –Li 2 SO 4 , which exhibits 3 times the Li-ion conductivity (4.9 × 10 –4 S/cm at 300 °C) compared with the highest case in binary parts.…”