Intrinsic Defects and Their Role in the Phase Transition of Na-Ion Anode Na₂Ti₃O₇.

ABSTRACT: The development of high-power anode materials for Na-ion batteries is one of the primary obstacles due to the growing demands for their use in the smart grid. Despite the appealingly low cost and non-toxicity, Na₂Ti₃O₇ suffers from low electrical conductivity and poor structural stability, which restricts its use in high-power applications. Viable approaches for overcoming these drawbacks reported to date are aliovalent doping and hydrogenation/hydrothermal treatments, both of which are closely intertwined with native defects. There is still a lack of knowledge, however, of the intrinsic defect chemistry of Na₂Ti₃O₇, which impairs the rational design of high-power titanate anodes. Here, we report hybrid density functional th

SUBMITTER: Choi YS 

PROVIDER: S-EPMC9832431 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature