# 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.

## Key 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).