Fig. 1: Structural and electrochemical characterization of Li2TiS3 − xSex.
From: Activation of anionic redox in d0 transition metal chalcogenides by anion doping
a PXRD patterns of synthesized materials in Li2TiS3 − xSex: a shift towards lower 2θ angles (higher d-spacing) is observed upon Se introduction. b Lattice parameters refined in \(R\bar{3}m\) plotted against the Se content x in Li2TiS3 − xSex. c Voltage traces of the first two galvanostatic cycles. d Change of the differential capacity dQ/dE of the first oxidation process with Se doping. The lowering of the activation potential indicates successful manipulation of the anionic band. The decreased voltage is consistent with increased covalency of Ti–Se bonds compared to Ti–S bonds and with the lower chemical hardness of Se compared to S. e Gravimetric discharge capacity of the first discharge process (black) and the electrochemical activity (amount of removable Li upon the first oxidation) (red).
