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Title: Experimental and theoretical investigations of functionalized boron nitride as electrode materials for Li-ion batteries

The feasibility of synthesizing functionalized h-BN (FBN) via the reaction between molten LiOH and solid h-BN is studied for the first time and its first ever application as an electrode material in Li-ion batteries is evaluated. Density functional theory (DFT) calculations are performed to provide mechanistic understanding of the possible electrochemical reactions derived from the FBN. Various materials characterizations reveal that the melt-solid reaction can lead to exfoliation and functionalization of h-BN simultaneously, while electrochemical analysis proves that the FBN can reversibly store charges through surface redox reactions with good cycle stability and coulombic efficiency. DFT calculations have provided physical insights into the observed electrochemical properties derived from the FBN.
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Publication Date:
OSTI Identifier:
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: RSC Advances; Journal Volume: 6; Journal Issue: 33
Royal Society of Chemistry
Research Org:
Argonne National Laboratory (ANL)
Sponsoring Org:
USDOE Office of Energy Efficiency and Renewable Energy (EERE) - Office of Vehicle Technology
Country of Publication:
United States
functionalized boron nitride; lithium-ion battery