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

Abstract

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.

Authors:
 [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:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
OSTI Identifier:
1253754
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
RSC Advances
Additional Journal Information:
Journal Volume: 6; Journal Issue: 33; Journal ID: ISSN 2046-2069
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; functionalized boron nitride; lithium-ion battery; electrodes

Citation Formats

Zhang, Fan, Nemeth, Karoly, Bareno, Javier, Dogan, Fulya, Bloom, Ira D., and Shaw, Leon L. Experimental and theoretical investigations of functionalized boron nitride as electrode materials for Li-ion batteries. United States: N. p., 2016. Web. doi:10.1039/c6ra03141b.
Zhang, Fan, Nemeth, Karoly, Bareno, Javier, Dogan, Fulya, Bloom, Ira D., & Shaw, Leon L. Experimental and theoretical investigations of functionalized boron nitride as electrode materials for Li-ion batteries. United States. https://doi.org/10.1039/c6ra03141b
Zhang, Fan, Nemeth, Karoly, Bareno, Javier, Dogan, Fulya, Bloom, Ira D., and Shaw, Leon L. 2016. "Experimental and theoretical investigations of functionalized boron nitride as electrode materials for Li-ion batteries". United States. https://doi.org/10.1039/c6ra03141b. https://www.osti.gov/servlets/purl/1253754.
@article{osti_1253754,
title = {Experimental and theoretical investigations of functionalized boron nitride as electrode materials for Li-ion batteries},
author = {Zhang, Fan and Nemeth, Karoly and Bareno, Javier and Dogan, Fulya and Bloom, Ira D. and Shaw, Leon L.},
abstractNote = {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.},
doi = {10.1039/c6ra03141b},
url = {https://www.osti.gov/biblio/1253754}, journal = {RSC Advances},
issn = {2046-2069},
number = 33,
volume = 6,
place = {United States},
year = {Thu Mar 03 00:00:00 EST 2016},
month = {Thu Mar 03 00:00:00 EST 2016}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 23 works
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Works referencing / citing this record:

Surface modification of hexagonal boron nitride nanomaterials: a review
journal, August 2017