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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. As a result, the DFT calculations have provided physical insights into the observed electrochemical properties derived from the FBN.
 [1] ;  [2] ;  [3] ;  [3] ;  [3] ;  [1]
  1. Illinois Institute of Technology, Chicago, IL (United States)
  2. Illinois Inst. of Technology, Chicago, IL (United States)
  3. Argonne National Lab. (ANL), Argonne, IL (United States)
Publication Date:
Grant/Contract Number:
Accepted Manuscript
Journal Name:
RSC Advances
Additional Journal Information:
Journal Volume: 6; Journal Issue: 33; Journal ID: ISSN 2046-2069
Royal Society of Chemistry
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
Country of Publication:
United States
25 ENERGY STORAGE; functionalized boron nitride; lithium-ion battery; electrodes
OSTI Identifier: