Hexagonal BC 3 : A Robust Electrode Material for Li, Na, and K Ion Batteries

Joshi, Rajendra P.; Ozdemir, Burak; Barone, Veronica; Peralta, Juan E.

doi:10.1021/acs.jpclett.5b01110

Title: Hexagonal BC ₃ : A Robust Electrode Material for Li, Na, and K Ion Batteries

Authors:

Joshi, Rajendra P. ^[1]; Ozdemir, Burak ^[1]; Barone, Veronica ^[1]; Peralta, Juan E. ^[1]

Department of Physics and Science of Advanced Materials, Central Michigan University, Mount Pleasant, Michigan 48859, United States

Publication Date:: Mon Jun 29 00:00:00 EDT 2015

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1191778

Grant/Contract Number:: FG02-10ER16203

Resource Type:: Published Article

Journal Name:: Journal of Physical Chemistry Letters

Additional Journal Information:: Journal Name: Journal of Physical Chemistry Letters Journal Volume: 6 Journal Issue: 14; Journal ID: ISSN 1948-7185

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Joshi, Rajendra P., Ozdemir, Burak, Barone, Veronica, and Peralta, Juan E. Hexagonal BC 3 : A Robust Electrode Material for Li, Na, and K Ion Batteries.  United States: N. p., 2015. 
Web.  doi:10.1021/acs.jpclett.5b01110.

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                    Joshi, Rajendra P., Ozdemir, Burak, Barone, Veronica, & Peralta, Juan E. Hexagonal BC 3 : A Robust Electrode Material for Li, Na, and K Ion Batteries.  United States.  https://doi.org/10.1021/acs.jpclett.5b01110

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                    Joshi, Rajendra P., Ozdemir, Burak, Barone, Veronica, and Peralta, Juan E. Mon .  
"Hexagonal BC 3 : A Robust Electrode Material for Li, Na, and K Ion Batteries".  United States.  https://doi.org/10.1021/acs.jpclett.5b01110.

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@article{osti_1191778,

  title        = {Hexagonal BC 3 : A Robust Electrode Material for Li, Na, and K Ion Batteries},

  author       = {Joshi, Rajendra P. and Ozdemir, Burak and Barone, Veronica and Peralta, Juan E.},

  abstractNote = {},

  doi          = {10.1021/acs.jpclett.5b01110},

  journal      = {Journal of Physical Chemistry Letters},

  number       = 14,

  volume       = 6,

  place        = {United States},

  year         = {Mon Jun 29 00:00:00 EDT 2015},

  month        = {Mon Jun 29 00:00:00 EDT 2015}

}

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Works referenced in this record:

Local Structure of Layered Oxide Electrode Materials for Lithium-Ion Batteries
journal, January 2010

Bareño, J.; Lei, C. H.; Wen, J. G.
Advanced Materials, Vol. 22, Issue 10
DOI: 10.1002/adma.200904247

Boron-doped graphene as a promising anode for Na-ion batteries
journal, January 2014

Ling, Chen; Mizuno, Fuminori
Phys. Chem. Chem. Phys., Vol. 16, Issue 22
DOI: 10.1039/C4CP01045K

Ion Intercalation into Two-Dimensional Transition-Metal Carbides: Global Screening for New High-Capacity Battery Materials
journal, October 2014

Eames, Christopher; Islam, M. Saiful
Journal of the American Chemical Society, Vol. 136, Issue 46
DOI: 10.1021/ja508154e

Li Absorption and Intercalation in Single Layer Graphene and Few Layer Graphene by First Principles
journal, January 2012

Lee, Eunseok; Persson, Kristin A.
Nano Letters, Vol. 12, Issue 9
DOI: 10.1021/nl3019164

Charge carrier density in Li-intercalated graphene
journal, May 2012

Kaloni, T. P.; Cheng, Y. C.; Upadhyay Kahaly, M.
Chemical Physics Letters, Vol. 534
DOI: 10.1016/j.cplett.2012.03.005

Electrochemical Na Insertion and Solid Electrolyte Interphase for Hard-Carbon Electrodes and Application to Na-Ion Batteries
journal, August 2011

Komaba, Shinichi; Murata, Wataru; Ishikawa, Toru
Advanced Functional Materials, Vol. 21, Issue 20
DOI: 10.1002/adfm.201100854

High-capacity electrode material BC $_{3}$ for lithium batteries proposed by ab initio simulations
journal, May 2012

Kuzubov, Alexander A.; Fedorov, Aleksandr S.; Eliseeva, Natalya S.
Physical Review B, Vol. 85, Issue 19
DOI: 10.1103/PhysRevB.85.195415

Formation of Lithium-Graphite Intercalation Compounds in Nonaqueous Electrolytes and Their Application as a Negative Electrode for a Lithium Ion (Shuttlecock) Cell
journal, January 1993

Ohzuku, Tsutomu
Journal of The Electrochemical Society, Vol. 140, Issue 9
DOI: 10.1149/1.2220849

Issues and challenges facing rechargeable lithium batteries
journal, November 2001

Tarascon, J.-M.; Armand, M.
Nature, Vol. 414, Issue 6861, p. 359-367
DOI: 10.1038/35104644

Chemistry of intercalation compounds: Metal guests in chalcogenide hosts
journal, January 1978

Whittingham, M. Stanley
Progress in Solid State Chemistry, Vol. 12, Issue 1
DOI: 10.1016/0079-6786(78)90003-1

Graphene-based electrochemical energy conversion and storage: fuel cells, supercapacitors and lithium ion batteries
journal, January 2011

Hou, Junbo; Shao, Yuyan; Ellis, Michael W.
Physical Chemistry Chemical Physics, Vol. 13, Issue 34
DOI: 10.1039/c1cp21915d

Advanced batteries
journal, November 1978

Tofield, B. C.; Dell, R. M.; Jensen, J.
Nature, Vol. 276, Issue 5685
DOI: 10.1038/276217a0

Novel aspects of graphite intercalation by fluorine and fluorides and new B/C, C/N and B/C/N materials based on the graphite network
journal, December 1989

Kouvetakis, J.; Sasaki, T.; Shen, C.
Synthetic Metals, Vol. 34, Issue 1-3
DOI: 10.1016/0379-6779(89)90355-X

First-Principles Study of Lithium Borocarbide as a Cathode Material for Rechargeable Li ion Batteries
journal, April 2011

Xu, Qiang; Ban, Chunmei; Dillon, Anne C.
The Journal of Physical Chemistry Letters, Vol. 2, Issue 10, p. 1129-1132
DOI: 10.1021/jz200440m

An ultrafast rechargeable aluminium-ion battery
journal, April 2015

Lin, Meng-Chang; Gong, Ming; Lu, Bingan
Nature, Vol. 520, Issue 7547
DOI: 10.1038/nature14340

Mechanically Alloyed Sn-Fe(-C) Powders as Anode Materials for Li-Ion Batteries: I. The Sn[sub 2]Fe-C System
journal, January 1999

Mao, Ou
Journal of The Electrochemical Society, Vol. 146, Issue 2
DOI: 10.1149/1.1391622

Challenges for Na-ion Negative Electrodes
journal, January 2011

Chevrier, V. L.; Ceder, G.
Journal of The Electrochemical Society, Vol. 158, Issue 9
DOI: 10.1149/1.3607983

Cathode properties of metal trifluorides in Li and Na secondary batteries
journal, May 2009

Nishijima, Manabu; Gocheva, Irina D.; Okada, Shigeto
Journal of Power Sources, Vol. 190, Issue 2
DOI: 10.1016/j.jpowsour.2009.01.051

Electrical Energy Storage and Intercalation Chemistry
journal, June 1976

Whittingham, M. S.
Science, Vol. 192, Issue 4244
DOI: 10.1126/science.192.4244.1126

Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides
journal, July 1997

Aydinol, M. K.; Kohan, A. F.; Ceder, G.
Physical Review B, Vol. 56, Issue 3
DOI: 10.1103/PhysRevB.56.1354

Abundances of chemical elements in the Earth’s crust
journal, January 2006

Yaroshevsky, A. A.
Geochemistry International, Vol. 44, Issue 1
DOI: 10.1134/S001670290601006X

The rechargeable revolution: A better battery
journal, March 2014

Van Noorden, Richard
Nature, Vol. 507, Issue 7490
DOI: 10.1038/507026a

Intercalation positive electrodes for rechargeable sodium cells
journal, October 1982

Abraham, K.
Solid State Ionics, Vol. 7, Issue 3
DOI: 10.1016/0167-2738(82)90051-0

Phase diagram of ${Li}_{x}$ $C_{6}$
journal, November 1991

Dahn, J. R.
Physical Review B, Vol. 44, Issue 17
DOI: 10.1103/PhysRevB.44.9170

Building better batteries
journal, February 2008

Armand, M.; Tarascon, J.-M.
Nature, Vol. 451, Issue 7179, p. 652-657
DOI: 10.1038/451652a

Feasibility of Lithium Storage on Graphene and Its Derivatives
journal, May 2013

Liu, Yuanyue; Artyukhov, Vasilii I.; Liu, Mingjie
The Journal of Physical Chemistry Letters, Vol. 4, Issue 10
DOI: 10.1021/jz400491b

Van der Waals density functional: An appropriate exchange functional
journal, April 2010

Cooper, Valentino R.
Physical Review B, Vol. 81, Issue 16
DOI: 10.1103/PhysRevB.81.161104

In situ7Li nuclear magnetic resonance observation of the electrochemical intercalation of lithium in graphite: second cycle analysis
journal, September 2013

Chevallier, Frédéric; Poli, Fabrizia; Montigny, Bénédicte
Carbon, Vol. 61
DOI: 10.1016/j.carbon.2013.04.078

The Effect of Boron Substitution in Carbon on the Intercalation of Lithium in Li x ( B z C 1 − z ) 6
journal, April 1994

Way, B. M.; Dahn, J. R.
Journal of The Electrochemical Society, Vol. 141, Issue 4
DOI: 10.1149/1.2054856

First-principles study of alkali metal-graphite intercalation compounds
journal, December 2013

Nobuhara, Kunihiro; Nakayama, Hideki; Nose, Masafumi
Journal of Power Sources, Vol. 243
DOI: 10.1016/j.jpowsour.2013.06.057

Sodium-Ion Batteries
journal, May 2012

Slater, Michael D.; Kim, Donghan; Lee, Eungje
Advanced Functional Materials, Vol. 23, Issue 8, p. 947-958
DOI: 10.1002/adfm.201200691

Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations
journal, September 2010

Persson, Kristin; Hinuma, Yoyo; Meng, Ying Shirley
Physical Review B, Vol. 82, Issue 12
DOI: 10.1103/PhysRevB.82.125416

Study on the First-Principles Calculations of Graphite Intercalated by Alkali Metal (Li, Na, K)
journal, April 2015

Wan, Wei; Wang, Haidong
International Journal of Electrochemical Science, Vol. 10, Issue 4
DOI: 10.1016/S1452-3981(23)06529-X

Thin graphite overlayers: Graphene and alkali metal intercalation
journal, February 2007

Algdal, J.; Balasubramanian, T.; Breitholtz, M.
Surface Science, Vol. 601, Issue 4
DOI: 10.1016/j.susc.2006.12.039

Revisited structures of dense and dilute stage II lithium-graphite intercalation compounds
journal, June 1996

Billaud, D.; Henry, F. X.; Lelaurain, M.
Journal of Physics and Chemistry of Solids, Vol. 57, Issue 6-8, p. 775-781
DOI: 10.1016/0022-3697(95)00348-7

On the chemical nature of thermally reduced graphene oxide and its electrochemical Li intake capacity
journal, September 2013

Uthaisar, Chananate; Barone, Veronica; Fahlman, Bradley D.
Carbon, Vol. 61
DOI: 10.1016/j.carbon.2013.05.037

LixCoO2 (0<x<-1): A new cathode material for batteries of high energy density
journal, June 1980

Mizushima, K.; Jones, P. C.; Wiseman, P. J.
Materials Research Bulletin, Vol. 15, Issue 6
DOI: 10.1016/0025-5408(80)90012-4

Na4Co3(PO4)2P2O7: A novel storage material for sodium-ion batteries
journal, July 2013

Nose, Masafumi; Nakayama, Hideki; Nobuhara, Kunihiro
Journal of Power Sources, Vol. 234
DOI: 10.1016/j.jpowsour.2013.01.162

Density Functional Theory Calculations of Alkali Metal (Li, Na, and K) Graphite Intercalation Compounds
journal, December 2013

Okamoto, Yasuharu
The Journal of Physical Chemistry C, Vol. 118, Issue 1
DOI: 10.1021/jp4063753

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Title: Hexagonal BC 3 : A Robust Electrode Material for Li, Na, and K Ion Batteries

Citation Formats

Local Structure of Layered Oxide Electrode Materials for Lithium-Ion Batteries journal, January 2010

Boron-doped graphene as a promising anode for Na-ion batteries journal, January 2014

Ion Intercalation into Two-Dimensional Transition-Metal Carbides: Global Screening for New High-Capacity Battery Materials journal, October 2014

Li Absorption and Intercalation in Single Layer Graphene and Few Layer Graphene by First Principles journal, January 2012

Charge carrier density in Li-intercalated graphene journal, May 2012

Electrochemical Na Insertion and Solid Electrolyte Interphase for Hard-Carbon Electrodes and Application to Na-Ion Batteries journal, August 2011

High-capacity electrode material BC 3 for lithium batteries proposed by ab initio simulations journal, May 2012

Formation of Lithium-Graphite Intercalation Compounds in Nonaqueous Electrolytes and Their Application as a Negative Electrode for a Lithium Ion (Shuttlecock) Cell journal, January 1993

Issues and challenges facing rechargeable lithium batteries journal, November 2001

Chemistry of intercalation compounds: Metal guests in chalcogenide hosts journal, January 1978

Graphene-based electrochemical energy conversion and storage: fuel cells, supercapacitors and lithium ion batteries journal, January 2011

Advanced batteries journal, November 1978

Novel aspects of graphite intercalation by fluorine and fluorides and new B/C, C/N and B/C/N materials based on the graphite network journal, December 1989

First-Principles Study of Lithium Borocarbide as a Cathode Material for Rechargeable Li ion Batteries journal, April 2011

An ultrafast rechargeable aluminium-ion battery journal, April 2015

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Cathode properties of metal trifluorides in Li and Na secondary batteries journal, May 2009

Electrical Energy Storage and Intercalation Chemistry journal, June 1976

Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides journal, July 1997

Abundances of chemical elements in the Earth’s crust journal, January 2006

The rechargeable revolution: A better battery journal, March 2014

Intercalation positive electrodes for rechargeable sodium cells journal, October 1982

Phase diagram of Li x C 6 journal, November 1991

Building better batteries journal, February 2008

Feasibility of Lithium Storage on Graphene and Its Derivatives journal, May 2013

Van der Waals density functional: An appropriate exchange functional journal, April 2010

In situ7Li nuclear magnetic resonance observation of the electrochemical intercalation of lithium in graphite: second cycle analysis journal, September 2013

The Effect of Boron Substitution in Carbon on the Intercalation of Lithium in Li x ( B z C 1 − z ) 6 journal, April 1994

First-principles study of alkali metal-graphite intercalation compounds journal, December 2013

Sodium-Ion Batteries journal, May 2012

Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations journal, September 2010

Study on the First-Principles Calculations of Graphite Intercalated by Alkali Metal (Li, Na, K) journal, April 2015

Thin graphite overlayers: Graphene and alkali metal intercalation journal, February 2007

Revisited structures of dense and dilute stage II lithium-graphite intercalation compounds journal, June 1996

On the chemical nature of thermally reduced graphene oxide and its electrochemical Li intake capacity journal, September 2013

LixCoO2 (0<x<-1): A new cathode material for batteries of high energy density journal, June 1980

Na4Co3(PO4)2P2O7: A novel storage material for sodium-ion batteries journal, July 2013

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Title: Hexagonal BC ₃ : A Robust Electrode Material for Li, Na, and K Ion Batteries

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Ion Intercalation into Two-Dimensional Transition-Metal Carbides: Global Screening for New High-Capacity Battery Materials
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Li Absorption and Intercalation in Single Layer Graphene and Few Layer Graphene by First Principles
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journal, May 2012

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journal, January 1993

Issues and challenges facing rechargeable lithium batteries
journal, November 2001

Chemistry of intercalation compounds: Metal guests in chalcogenide hosts
journal, January 1978

Graphene-based electrochemical energy conversion and storage: fuel cells, supercapacitors and lithium ion batteries
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Advanced batteries
journal, November 1978

Novel aspects of graphite intercalation by fluorine and fluorides and new B/C, C/N and B/C/N materials based on the graphite network
journal, December 1989

First-Principles Study of Lithium Borocarbide as a Cathode Material for Rechargeable Li ion Batteries
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An ultrafast rechargeable aluminium-ion battery
journal, April 2015

Mechanically Alloyed Sn-Fe(-C) Powders as Anode Materials for Li-Ion Batteries: I. The Sn[sub 2]Fe-C System
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Challenges for Na-ion Negative Electrodes
journal, January 2011

Cathode properties of metal trifluorides in Li and Na secondary batteries
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Electrical Energy Storage and Intercalation Chemistry
journal, June 1976

Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides
journal, July 1997

Abundances of chemical elements in the Earth’s crust
journal, January 2006

The rechargeable revolution: A better battery
journal, March 2014

Intercalation positive electrodes for rechargeable sodium cells
journal, October 1982

Phase diagram of ${Li}_{x}$ $C_{6}$
journal, November 1991

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journal, February 2008

Feasibility of Lithium Storage on Graphene and Its Derivatives
journal, May 2013

Van der Waals density functional: An appropriate exchange functional
journal, April 2010

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The Effect of Boron Substitution in Carbon on the Intercalation of Lithium in Li x ( B z C 1 − z ) 6
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First-principles study of alkali metal-graphite intercalation compounds
journal, December 2013

Sodium-Ion Batteries
journal, May 2012

Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations
journal, September 2010

Study on the First-Principles Calculations of Graphite Intercalated by Alkali Metal (Li, Na, K)
journal, April 2015

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journal, February 2007

Revisited structures of dense and dilute stage II lithium-graphite intercalation compounds
journal, June 1996

On the chemical nature of thermally reduced graphene oxide and its electrochemical Li intake capacity
journal, September 2013

LixCoO2 (0<x<-1): A new cathode material for batteries of high energy density
journal, June 1980

Na4Co3(PO4)2P2O7: A novel storage material for sodium-ion batteries
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