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Volumn 84, Issue 8, 2011, Pages

Thermodynamic stability of LaMnO3 and its competing oxides: A hybrid density functional study of an alkaline fuel cell catalyst

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EID: 80052508109     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.84.085137     Document Type: Article
Times cited : (44)

References (72)
  • 2
    • 22944487260 scopus 로고    scopus 로고
    • An efficient solid oxide fuel cell based upon single-phase perovskites
    • DOI 10.1002/adma.200402007
    • S. Tao, J. Irvine, and J. Kilner, Adv. Mater. ADVMEW 0935-9648 10.1002/adma.200402007 17, 1734 (2005). (Pubitemid 41048773)
    • (2005) Advanced Materials , vol.17 , Issue.14 , pp. 1734-1737
    • Tao, S.1    Irvine, J.T.S.2    Kilner, J.A.3
  • 9
    • 0002531501 scopus 로고    scopus 로고
    • THACAS 1566-7367 10.1016/S1566-7367(00)00003-0
    • C. Oliva and L. Forni, Catal. Commun. THACAS 1566-7367 10.1016/S1566-7367(00)00003-0 1, 5 (2000).
    • (2000) Catal. Commun. , vol.1 , pp. 5
    • Oliva, C.1    Forni, L.2
  • 10
    • 44649146411 scopus 로고    scopus 로고
    • JCSJEW 0914-5400 10.2109/jcersj2.116.141
    • D. S. Jung, S. K. Hong, and Y. C. Kang, J. Ceram. Soc. Jpn. JCSJEW 0914-5400 10.2109/jcersj2.116.141 116, 141 (2008).
    • (2008) J. Ceram. Soc. Jpn. , vol.116 , pp. 141
    • Jung, D.S.1    Hong, S.K.2    Kang, Y.C.3
  • 11
    • 0031257187 scopus 로고    scopus 로고
    • JACTAW 0002-7820 10.1111/j.1151-2916.1997.tb03178.x
    • Y. Shimizu and T. Murata, J. Am. Ceram. Soc. JACTAW 0002-7820 10.1111/j.1151-2916.1997.tb03178.x 80, 2702 (1997).
    • (1997) J. Am. Ceram. Soc. , vol.80 , pp. 2702
    • Shimizu, Y.1    Murata, T.2
  • 13
    • 0033652568 scopus 로고    scopus 로고
    • JSSCBI 0022-4596 10.1006/jssc.2000.8779
    • K. Kitayama, J. Solid State Chem. JSSCBI 0022-4596 10.1006/jssc.2000.8779 153, 336 (2000).
    • (2000) J. Solid State Chem. , vol.153 , pp. 336
    • Kitayama, K.1
  • 16
    • 0037095451 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.65.205111
    • M. Nicastro and C. H. Patterson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.65.205111 65, 205111 (2002).
    • (2002) Phys. Rev. B , vol.65 , pp. 205111
    • Nicastro, M.1    Patterson, C.H.2
  • 17
    • 1842459610 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.69.085115
    • D. Muñoz, N. M. Harrison, and F. Illas, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.085115 69, 085115 (2004).
    • (2004) Phys. Rev. B , vol.69 , pp. 085115
    • Muñoz, D.1    Harrison, N.M.2    Illas, F.3
  • 21
    • 34247216017 scopus 로고    scopus 로고
    • 3-based cathode materials in solid oxide fuel cells
    • DOI 10.1021/cm062616e
    • Y. Choi, D. S. Mebane, M. C. Lin, and M. Liu, Chem. Mater. CMATEX 0897-4756 10.1021/cm062616e 19, 1690 (2007). (Pubitemid 46608206)
    • (2007) Chemistry of Materials , vol.19 , Issue.7 , pp. 1690-1699
    • Choi, Y.1    Mebane, D.S.2    Lin, M.C.3    Liu, M.4
  • 27
    • 0000845518 scopus 로고
    • JCTDAF 0021-9614 10.1016/0021-9614(85)90069-2
    • R. A. Robie and B. S. Hemingway, J. Chem. Thermodyn. JCTDAF 0021-9614 10.1016/0021-9614(85)90069-2 17, 165 (1985).
    • (1985) J. Chem. Thermodyn. , vol.17 , pp. 165
    • Robie, R.A.1    Hemingway, B.S.2
  • 28
    • 0030196597 scopus 로고    scopus 로고
    • JACTAW 0002-7820 10.1111/j.1151-2916.1996.tb07993.x
    • A. N. Sophie Fritsch, J. Am. Ceram. Soc. JACTAW 0002-7820 10.1111/j.1151-2916.1996.tb07993.x 79, 1761 (1996).
    • (1996) J. Am. Ceram. Soc. , vol.79 , pp. 1761
    • Sophie Fritsch, A.N.1
  • 29
  • 31
    • 0000053430 scopus 로고    scopus 로고
    • On the prediction of band gaps from hybrid functional theory
    • DOI 10.1016/S0009-2614(01)00616-9, PII S0009261401006169
    • J. Muscat, A. Wander, and N. Harrison, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(01)00616-9 342, 397 (2001). (Pubitemid 33628309)
    • (2001) Chemical Physics Letters , vol.342 , Issue.3-4 , pp. 397-401
    • Muscat, J.1    Wander, A.2    Harrison, N.M.3
  • 32
    • 34047162577 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.75.165201
    • G. Mallia and N. M. Harrison, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.165201 75, 165201 (2007).
    • (2007) Phys. Rev. B , vol.75 , pp. 165201
    • Mallia, G.1    Harrison, N.M.2
  • 35
  • 38
    • 68949127346 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.79.245133
    • L. Liborio, G. Mallia, and N. Harrison, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.245133 79, 245133 (2009).
    • (2009) Phys. Rev. B , vol.79 , pp. 245133
    • Liborio, L.1    Mallia, G.2    Harrison, N.3
  • 42
    • 80052486121 scopus 로고    scopus 로고
    • [
    • [http://webbook.nist.gov/chemistry/].
  • 44
    • 69249177075 scopus 로고    scopus 로고
    • CMATEX 0897-4756 10.1021/cm9008943
    • D. Kramer and G. Ceder, Chem. Mater. CMATEX 0897-4756 10.1021/cm9008943 21, 3799 (2009).
    • (2009) Chem. Mater. , vol.21 , pp. 3799
    • Kramer, D.1    Ceder, G.2
  • 45
    • 80052432768 scopus 로고    scopus 로고
    • crystal09 User's Manual, Università di Torino, Torino
    • R. Dovesi, crystal09 User's Manual, Università di Torino, Torino, 2010.
    • (2010)
    • Dovesi, R.1
  • 46
    • 80052476948 scopus 로고    scopus 로고
    • [
    • [http://www.crystal.unito.it/basis-sets/ptable.html].
  • 47
    • 27944493369 scopus 로고    scopus 로고
    • in edited by C. Catlow and E. Kotomin, NATO Science Series III: Computer and Systems Science, Vol. 187 (IOS Press, Amsterdam
    • G. Mallia, R. Orlando, M. Llunell, and R. Dovesi, in Computational Materials Science, edited by, C. Catlow, and, E. Kotomin, NATO Science Series III: Computer and Systems Science, Vol. 187 (IOS Press, Amsterdam, 2003), pp. 102-121.
    • (2003) Computational Materials Science , pp. 102-121
    • Mallia, G.1    Orlando, R.2    Llunell, M.3    Dovesi, R.4
  • 49
    • 0009499934 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.100.545
    • E. O. Wollan and W. C. Koehler, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.100.545 100, 545 (1955).
    • (1955) Phys. Rev. , vol.100 , pp. 545
    • Wollan, E.O.1    Koehler, W.C.2
  • 50
    • 80052474751 scopus 로고    scopus 로고
    • [
    • [http://cds.dl.ac.uk/icsd/].
  • 51
    • 0002482302 scopus 로고    scopus 로고
    • 3+: III. Magnetic order studied by powder neutron diffraction
    • DOI 10.1006/jssc.1996.0205
    • B. C. Hauback, H. Fjellvïg, and N. Sakai, J. Solid State Chem. JSSCBI 0022-4596 10.1006/jssc.1996.0205 124, 43 (1996). (Pubitemid 126320348)
    • (1996) Journal of Solid State Chemistry , vol.124 , Issue.1 , pp. 43-51
    • Hauback, B.C.1    Fjellvag, H.2    Sakai, N.3
  • 52
    • 0037430192 scopus 로고    scopus 로고
    • JALCEU 0925-8388 10.1016/S0925-8388(02)01043-5
    • N. Hirosaki, S. Ogata, and C. Kocer, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0925-8388(02)01043-5 351, 31 (2003).
    • (2003) J. Alloys Compd. , vol.351 , pp. 31
    • Hirosaki, N.1    Ogata, S.2    Kocer, C.3
  • 54
    • 0000718152 scopus 로고
    • ACBCAR 0567-7408 10.1107/S0567740871002966
    • S. Geller, Acta Crystallogr. Sect. B ACBCAR 0567-7408 10.1107/S0567740871002966 27, 821 (1971).
    • (1971) Acta Crystallogr. Sect. B , vol.27 , pp. 821
    • Geller, S.1
  • 60
    • 45749114132 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.77.214428
    • V. Dyakonov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.214428 77, 214428 (2008).
    • (2008) Phys. Rev. B , vol.77 , pp. 214428
    • Dyakonov, V.1
  • 61
    • 31144449517 scopus 로고    scopus 로고
    • Electronic structure of rare-earth sesquioxides and oxysulfides
    • DOI 10.1016/j.jallcom.2005.01.068, PII S0925838805004913, Proceedings of the Rare Earths'04 in Nara, Japan
    • M. Mikami and S. Nakamura, J. Alloys Compd. JALCEU 0925-8388 10.1016/j.jallcom.2005.01.068 408-412, 687 (2006). (Pubitemid 43131292)
    • (2006) Journal of Alloys and Compounds , vol.408-412 , pp. 687-692
    • Mikami, M.1    Nakamura, S.2
  • 62
    • 34249735892 scopus 로고
    • NATUAS 0028-0836 10.1038/304143a0
    • P. R. B. Shirley Turner, Nature (London) NATUAS 0028-0836 10.1038/304143a0 304, 143 (1983).
    • (1983) Nature (London) , vol.304 , pp. 143
    • Shirley Turner, P.R.B.1
  • 67
    • 77952531635 scopus 로고    scopus 로고
    • JALCEU 1742-6588 10.1088/1742-6596/150/4/042195
    • T. Suzuki and T. Katsufuji, J. Phys.: Conf. Ser. JALCEU 1742-6588 10.1088/1742-6596/150/4/042195 150, 042195 (2009).
    • (2009) J. Phys.: Conf. Ser. , vol.150 , pp. 042195
    • Suzuki, T.1    Katsufuji, T.2
  • 68
    • 36149016904 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.110.1333
    • W. L. Roth, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.110.1333 110, 1333 (1958).
    • (1958) Phys. Rev. , vol.110 , pp. 1333
    • Roth, W.L.1
  • 69
    • 0001714913 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.38.11901
    • H. Shaked, J. Faber, and R. L. Hitterman, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.38.11901 38, 11901 (1988).
    • (1988) Phys. Rev. B , vol.38 , pp. 11901
    • Shaked, H.1    Faber, J.2    Hitterman, R.L.3
  • 71
    • 0037384566 scopus 로고    scopus 로고
    • JMACEP 0959-9428 10.1039/b208550j
    • K. T. Jacob and M. Attaluri, J. Mater. Chem. JMACEP 0959-9428 10.1039/b208550j 13, 934 (2003).
    • (2003) J. Mater. Chem. , vol.13 , pp. 934
    • Jacob, K.T.1    Attaluri, M.2


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