DOI: 10.1021/jz200440m. First-Principles Study of Lithium Borocarbide as a Cathode Material for Rechargeable Li ion Batteries

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

10.1021/jz200440m

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry Letters (316)

Bibliography

Xu, Q., Ban, C., Dillon, A. C., Wei, S.-H., & Zhao, Y. (2011). First-Principles Study of Lithium Borocarbide as a Cathode Material for Rechargeable Li ion Batteries. The Journal of Physical Chemistry Letters, 2(10), 1129â1132.

Authors 5

Qiang Xu (first)
Chunmei Ban (additional)
Anne C. Dillon (additional)
Su-Huai Wei (additional)
Yufeng Zhao (additional)

References 35 Referenced 37

10.1149/1.1806394 / J. Electrochem. Soc. by Mikhaylik Y. V. (2004)
10.1021/cr020731c / Chem. Rev. by Whittingham M. S. (2004)
10.1038/nmat2460 / Nat. Mater. by Ji X. L. (2009)
10.1038/nmat732 / Nat. Mater. by Chung S. Y. (2002)
10.1126/science.1122152 / Science by Kang K. S. (2006)
10.1149/1.2220730 / J. Electrochem. Soc. by Ohzuku T. (1993)
10.1149/1.1836594 / J. Electrochem. Soc. by Amatucci G. G. (1996)
10.1006/jssc.1999.8465 / J. Solid State Chem. by Tarascon J. M. (1999)
10.1016/S1388-2481(99)00155-1 / Electrochem. Commun. by Yang X. Q. (2000)
10.1021/nl072321f / Nano Lett. by Zhao Y. (2008)
10.1103/PhysRevLett.94.155504 / Phys. Rev. Lett. by Zhao Y. F. (2005)
10.1039/C39860001758 / J. Chem. Soc., Chem. Commun. by Kouvetakis J. (1986)
10.1103/PhysRevB.73.045412 / Phys. Rev. B by Yanagisawa H. (2006)
10.1016/j.ssc.2005.06.025 / Solid State Commun. by Tanaka H. (2005)
10.1103/PhysRevLett.93.177003 / Phys. Rev. Lett. by Yanagisawa H. (2004)
10.1002/zaac.19956210707 / Z. Anorg. Allg. Chem. by Worle M. (1995)
10.1016/S0038-1098(02)00474-X / Solid State Commun. by Bharathi A. (2002)
10.1103/PhysRevB.67.245106 / Phys. Rev. B by Fogg A. M. (2003)
10.1039/B302058D / Chem. Commun. by Fogg A. M. (2003)
10.1016/j.jallcom.2003.09.034 / J. Alloys Compd. by Nakamori Y. (2004)
10.1103/PhysRevB.69.052506 / Phys. Rev. B by Renker B. (2004)
10.1016/S0038-1098(02)00702-0 / Solid State Commun. by Souptel D. (2003)
10.1063/1.1556285 / J. Appl. Phys. by Zhao L. (2003)
10.1103/PhysRevLett.88.127001 / Phys. Rev. Lett. by Rosner H. (2002)
{'key': 'ref25/cit25', 'first-page': '012501', 'volume': '65', 'author': 'Wan X. G.', 'year': '2002', 'journal-title': 'Phys. Rev. B'} / Phys. Rev. B by Wan X. G. (2002)
10.1103/PhysRevB.67.132502 / Phys. Rev. B by Pronin A. V. (2003)
10.1103/PhysRevB.56.1354 / Phys. Rev. B by Aydinol M. K. (1997)
10.1039/b925853a / Phys. Chem. Chem. Phys. by Leung K. (2010)
{'key': 'ref29/cit29', 'first-page': '55', 'volume': '366', 'author': 'Fogg A. M.', 'year': '2008', 'journal-title': 'Philos. Trans. R. Soc. London, Ser. A'} / Philos. Trans. R. Soc. London, Ser. A by Fogg A. M. (2008)
10.1021/jp910134u / J. Phys. Chem. C by Toyoura K. (2010)
10.1103/PhysRevB.83.035406 / Phys. Rev. B by Zhao Y. F. (2011)
10.1103/PhysRevB.54.11169 / Phys. Rev. B by Kresse G. (1996)
10.1103/PhysRevB.50.17953 / Phys. Rev. B by Blochl P. E. (1994)
10.1103/PhysRevLett.45.566 / Phys. Rev. Lett. by Ceperley D. M. (1980)
10.1103/PhysRevB.13.5188 / Phys. Rev. B by Monkhorst H. J. (1976)

Dates

Type	When
Created	14 years, 4 months ago (April 26, 2011, 11:09 a.m.)
Deposited	2 years, 4 months ago (April 27, 2023, 8:36 p.m.)
Indexed	4 months, 4 weeks ago (April 1, 2025, 6:04 a.m.)
Issued	14 years, 4 months ago (April 26, 2011)
Published	14 years, 4 months ago (April 26, 2011)
Published Online	14 years, 4 months ago (April 26, 2011)
Published Print	14 years, 3 months ago (May 19, 2011)

Funders 0

None

BibTeX

@article{Xu_2011, title={First-Principles Study of Lithium Borocarbide as a Cathode Material for Rechargeable Li ion Batteries}, volume={2}, ISSN={1948-7185}, url={http://dx.doi.org/10.1021/jz200440m}, DOI={10.1021/jz200440m}, number={10}, journal={The Journal of Physical Chemistry Letters}, publisher={American Chemical Society (ACS)}, author={Xu, Qiang and Ban, Chunmei and Dillon, Anne C. and Wei, Su-Huai and Zhao, Yufeng}, year={2011}, month=apr, pages={1129–1132} }

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      "DOI": "10.1038/nmat2460",
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      "DOI": "10.1038/nmat732",
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    {
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      "first-page": "977",
      "DOI": "10.1126/science.1122152",
      "volume": "311",
      "author": "Kang K. S.",
      "year": "2006",
      "journal-title": "Science"
    },
    {
      "key": "ref6/cit6",
      "doi-asserted-by": "crossref",
      "first-page": "1862",
      "DOI": "10.1149/1.2220730",
      "volume": "140",
      "author": "Ohzuku T.",
      "year": "1993",
      "journal-title": "J. Electrochem. Soc."
    },
    {
      "key": "ref7/cit7",
      "doi-asserted-by": "crossref",
      "first-page": "1114",
      "DOI": "10.1149/1.1836594",
      "volume": "143",
      "author": "Amatucci G. G.",
      "year": "1996",
      "journal-title": "J. Electrochem. Soc."
    },
    {
      "key": "ref8/cit8",
      "doi-asserted-by": "crossref",
      "first-page": "410",
      "DOI": "10.1006/jssc.1999.8465",
      "volume": "147",
      "author": "Tarascon J. M.",
      "year": "1999",
      "journal-title": "J. Solid State Chem."
    },
    {
      "key": "ref9/cit9",
      "doi-asserted-by": "crossref",
      "first-page": "100",
      "DOI": "10.1016/S1388-2481(99)00155-1",
      "volume": "2",
      "author": "Yang X. Q.",
      "year": "2000",
      "journal-title": "Electrochem. Commun."
    },
    {
      "key": "ref10/cit10",
      "doi-asserted-by": "crossref",
      "first-page": "157",
      "DOI": "10.1021/nl072321f",
      "volume": "8",
      "author": "Zhao Y.",
      "year": "2008",
      "journal-title": "Nano Lett."
    },
    {
      "key": "ref11/cit11",
      "doi-asserted-by": "crossref",
      "first-page": "155504",
      "DOI": "10.1103/PhysRevLett.94.155504",
      "volume": "94",
      "author": "Zhao Y. F.",
      "year": "2005",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref12/cit12",
      "doi-asserted-by": "crossref",
      "first-page": "1758",
      "DOI": "10.1039/C39860001758",
      "volume": "24",
      "author": "Kouvetakis J.",
      "year": "1986",
      "journal-title": "J. Chem. Soc., Chem. Commun."
    },
    {
      "key": "ref13/cit13",
      "doi-asserted-by": "crossref",
      "first-page": "045412",
      "DOI": "10.1103/PhysRevB.73.045412",
      "volume": "73",
      "author": "Yanagisawa H.",
      "year": "2006",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref14/cit14",
      "doi-asserted-by": "crossref",
      "first-page": "22",
      "DOI": "10.1016/j.ssc.2005.06.025",
      "volume": "136",
      "author": "Tanaka H.",
      "year": "2005",
      "journal-title": "Solid State Commun."
    },
    {
      "key": "ref15/cit15",
      "doi-asserted-by": "crossref",
      "first-page": "177003",
      "DOI": "10.1103/PhysRevLett.93.177003",
      "volume": "93",
      "author": "Yanagisawa H.",
      "year": "2004",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref16/cit16",
      "doi-asserted-by": "crossref",
      "first-page": "1153",
      "DOI": "10.1002/zaac.19956210707",
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      "author": "Worle M.",
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      "key": "ref17/cit17",
      "doi-asserted-by": "crossref",
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      "DOI": "10.1016/S0038-1098(02)00474-X",
      "volume": "124",
      "author": "Bharathi A.",
      "year": "2002",
      "journal-title": "Solid State Commun."
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      "key": "ref18/cit18",
      "doi-asserted-by": "crossref",
      "first-page": "245106",
      "DOI": "10.1103/PhysRevB.67.245106",
      "volume": "67",
      "author": "Fogg A. M.",
      "year": "2003",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref19/cit19",
      "doi-asserted-by": "crossref",
      "first-page": "1348",
      "DOI": "10.1039/B302058D",
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      "year": "2003",
      "journal-title": "Chem. Commun."
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    {
      "key": "ref20/cit20",
      "doi-asserted-by": "crossref",
      "first-page": "L7",
      "DOI": "10.1016/j.jallcom.2003.09.034",
      "volume": "370",
      "author": "Nakamori Y.",
      "year": "2004",
      "journal-title": "J. Alloys Compd."
    },
    {
      "key": "ref21/cit21",
      "doi-asserted-by": "crossref",
      "first-page": "052506",
      "DOI": "10.1103/PhysRevB.69.052506",
      "volume": "69",
      "author": "Renker B.",
      "year": "2004",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref22/cit22",
      "doi-asserted-by": "crossref",
      "first-page": "17",
      "DOI": "10.1016/S0038-1098(02)00702-0",
      "volume": "125",
      "author": "Souptel D.",
      "year": "2003",
      "journal-title": "Solid State Commun."
    },
    {
      "key": "ref23/cit23",
      "doi-asserted-by": "crossref",
      "first-page": "8653",
      "DOI": "10.1063/1.1556285",
      "volume": "93",
      "author": "Zhao L.",
      "year": "2003",
      "journal-title": "J. Appl. Phys."
    },
    {
      "key": "ref24/cit24",
      "doi-asserted-by": "crossref",
      "first-page": "127001",
      "DOI": "10.1103/PhysRevLett.88.127001",
      "volume": "88",
      "author": "Rosner H.",
      "year": "2002",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref25/cit25",
      "first-page": "012501",
      "volume": "65",
      "author": "Wan X. G.",
      "year": "2002",
      "journal-title": "Phys. Rev. B"
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      "key": "ref26/cit26",
      "doi-asserted-by": "crossref",
      "first-page": "132502",
      "DOI": "10.1103/PhysRevB.67.132502",
      "volume": "67",
      "author": "Pronin A. V.",
      "year": "2003",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref27/cit27",
      "doi-asserted-by": "crossref",
      "first-page": "1354",
      "DOI": "10.1103/PhysRevB.56.1354",
      "volume": "56",
      "author": "Aydinol M. K.",
      "year": "1997",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref28/cit28",
      "doi-asserted-by": "crossref",
      "first-page": "6583",
      "DOI": "10.1039/b925853a",
      "volume": "12",
      "author": "Leung K.",
      "year": "2010",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref29/cit29",
      "first-page": "55",
      "volume": "366",
      "author": "Fogg A. M.",
      "year": "2008",
      "journal-title": "Philos. Trans. R. Soc. London, Ser. A"
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      "key": "ref30/cit30",
      "doi-asserted-by": "crossref",
      "first-page": "2375",
      "DOI": "10.1021/jp910134u",
      "volume": "114",
      "author": "Toyoura K.",
      "year": "2010",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "ref31/cit31",
      "doi-asserted-by": "crossref",
      "first-page": "035406",
      "DOI": "10.1103/PhysRevB.83.035406",
      "volume": "83",
      "author": "Zhao Y. F.",
      "year": "2011",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref32/cit32",
      "doi-asserted-by": "crossref",
      "first-page": "11169",
      "DOI": "10.1103/PhysRevB.54.11169",
      "volume": "54",
      "author": "Kresse G.",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref33/cit33",
      "doi-asserted-by": "crossref",
      "first-page": "17953",
      "DOI": "10.1103/PhysRevB.50.17953",
      "volume": "50",
      "author": "Blochl P. E.",
      "year": "1994",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref34/cit34",
      "doi-asserted-by": "crossref",
      "first-page": "566",
      "DOI": "10.1103/PhysRevLett.45.566",
      "volume": "45",
      "author": "Ceperley D. M.",
      "year": "1980",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref35/cit35",
      "doi-asserted-by": "crossref",
      "first-page": "5188",
      "DOI": "10.1103/PhysRevB.13.5188",
      "volume": "13",
      "author": "Monkhorst H. J.",
      "year": "1976",
      "journal-title": "Phys. Rev. B"
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