Abstract
Inspired by the recent successful growth of Ti2C monolayers, we investigated the effects of Ti2CT2 (T = F, Cl, Br, O, S and Se) anode in lithium-ion batteries (LIBs) by first-principles calculations. The results revealed that Ti2CT2 MXenes exhibit metallic conductivity with higher structural stability and mechanical strength than Ti2C. Compared with other Ti2CT2 monolayers, Ti2CS2 monolayer display lower diffusion barrier, larger elastic modulus, lower open circuit voltage and higher storage capacity. Moreover, surface sulfuration yields the expanded interlayer spacing, which can improve Li-ion accessibility in double-layer Ti2CS2.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
