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

Zhang, Fan; Nemeth, Karoly; Bareno, Javier; Dogan, Fulya; Bloom, Ira D.; Shaw, Leon L.

doi:10.1039/c6ra03141b

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

Journal Article · Thu Mar 03 00:00:00 EST 2016 · RSC Advances

DOI:https://doi.org/10.1039/c6ra03141b· OSTI ID:1253754

Zhang, Fan ^[1]; Nemeth, Karoly ^[2]; Bareno, Javier ^[3]; Dogan, Fulya ^[3]; Bloom, Ira D. ^[3]; Shaw, Leon L. ^[1]

Illinois Institute of Technology, Chicago, IL (United States)
Illinois Inst. of Technology, Chicago, IL (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)

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.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1253754

Journal Information:: RSC Advances, Vol. 6, Issue 33; ISSN 2046-2069

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 23 works

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