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Effect of Graphene Interface on Potassiation in a Graphene- Selenium Heterostructure Cathode for Potassium-ion Batteries by Sharma, Vidushi; Datta, Dibakar is a scholarly article available to read on EtoBox.

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Selenium (Se) cathodes are an exciting emerging high energy density storage system for Potassium ion batteries(KIB), where potassiation reactions are less understood. Here, we present an atomic-level investigation of KxSe cathode enclosed in hexagonal lattices of carbon(C) characteristic of multilayered graphene matrix and multiwalled carbon nanotubes (MW-CNTs). Microstructural changes directed by graphene substrate in KxSe cathode are contrasted with graphene-free cathode. Graphene's binding affinity for long-chain polyselenides (Se-Se-Se = -2.82 eV and Se-Se = -2.646 eV) and ability to induce reactivity between Se and K are investigated. Furthermore, intercalation voltage for graphene enclosed KxSe cathode reaction intermediates are calculated with K2Se as the final discharged product. Our results indicate a single-step reaction near a voltage of 1.55 V between K and Se cathode. Our findings suggest that operating at higher voltages (~2V) could result in the formation of reaction intermediates where intercalation/deintercalation of K could be a challenge, and therefore cause irreversible capacity losses in the battery. Primary issues are the high binding energy of long-chain poly

Author

Sharma, Vidushi; Datta, Dibakar

Published

2023

Language

EN