Abstract
Computer simulation accelerates the selection and application of new electrode materials. The First-principles calculations based on density functional theory (DFT) are performed to evaluate the performance as cathode for Potassium ion batteries (PIBs) on the structure, electronic conductivity and ionic diffusion of O-doped KMnF3. After taking comprehensive consideration of the calculation results, the nanostructured O-doped KMnF3 was synthesized and the structure and electrochemical properties were further improved by carbon coating. Here, we report a new etch pathway to create a new class of carbon-coated perovskite fluoride to improve the performance of PIB in terms of rate capability and cycle stability. These new material design concepts will help discover and synthesize new materials for PIBs.
Sign-in/Register to access full text options 
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.
