BC2N/graphene heterostructures as anode materials with improved performance for lithium-ion batteries

TL;DR

This paper explores graphene-based heterostructures with BC2N sheets as improved anode materials for lithium-ion batteries.

Contribution

The study introduces BC2N/graphene heterostructures that can adsorb lithium atoms, offering enhanced battery performance.

Findings

BC2N/graphene heterostructures can effectively adsorb lithium atoms, unlike pure BC2N sheets.

III-HN and III-HH heterostructures show a high capacity of 414 mAh g−1 and low energy barriers.

All systems meet standard voltage requirements for battery anode applications.

Abstract

To meet the increasing demands of the energy storage market, it is imperative to explore and design high-performance anode materials for lithium-ion batteries (LIBs). In this study, we present six types of heterostructures that integrate graphene with BC2N-II and BC2N-III sheets to explore the electrochemical properties of BC2N/graphene systems as potential anode materials for LIBs. Notably, unlike the original BC2N-II and BC2N-III sheets, which are incapable of adsorbing Li, our findings demonstrate that Li atoms can indeed be effectively adsorbed onto the BC2N/graphene heterostructures. Furthermore, the III-HN and III-HH types of heterostructures exhibit significantly enhanced capacity of 414 mAh g−1 along with a minimal energy barrier of 0.13 eV. All the evaluated systems exhibit voltages that completely adhere to the current standards for battery anode material applications. This work offers a theoretical framework for designing viable anode materials featuring heterostructures tailored for LIB applications, offering a practical approach to enhance the performance of pristine materials as anodes. This positions BC2N-II/graphene and BC2N-III/graphene as promising candidates for the future developments of lithium-ion battery technology.

To meet the increasing demands of the energy storage market, it is imperative to explore and design high-performance anode materials for lithium-ion batteries (LIBs).

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