메뉴 건너뛰기




Volumn 137, Issue 1, 2012, Pages

Origin of synergistic effect over Ni-based bimetallic surfaces: A density functional theory study

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION PROPERTIES; BIMETALLIC SURFACES; CATALYST STABILITY; CATALYTIC PROPERTIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DESCRIPTORS; HOLLOW SITES; LATE TRANSITION METALS; LIGAND EFFECT; LINEAR ENERGY; NI ATOMS; PROBE REACTIONS; SURFACE ALLOYS; SYNERGISTIC EFFECT;

EID: 84863663870     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4731811     Document Type: Article
Times cited : (84)

References (65)
  • 7
    • 0033153667 scopus 로고    scopus 로고
    • 10.1023/A:1019001428159
    • S. Tang, J. Lin, and K. L. Tan, Catal. Lett. 59, 129 (1999). 10.1023/A:1019001428159
    • (1999) Catal. Lett. , vol.59 , pp. 129
    • Tang, S.1    Lin, J.2    Tan, K.L.3
  • 9
    • 0032613928 scopus 로고    scopus 로고
    • 10.1016/S0008-6223(99)00218-3
    • S. Cui, C. Z. Lu, Y. L. Qiao, and L. Cui, Carbon 37, 2070 (1999). 10.1016/S0008-6223(99)00218-3
    • (1999) Carbon , vol.37 , pp. 2070
    • Cui, S.1    Lu, C.Z.2    Qiao, Y.L.3    Cui, L.4
  • 19
    • 34548839121 scopus 로고    scopus 로고
    • Self-activation and self-regenerative activity of trace Rh-doped Ni/Mg(Al)O catalysts in steam reforming of methane
    • DOI 10.1016/j.apcata.2007.08.008, PII S0926860X07004905
    • D. L. Li, T. Shishido, Y. Oumi, T. Sano, and K. Takehira, Appl. Catal., A 332, 98 (2007). 10.1016/j.apcata.2007.08.008 (Pubitemid 47451739)
    • (2007) Applied Catalysis A: General , vol.332 , Issue.1 , pp. 98-109
    • Li, D.1    Shishido, T.2    Oumi, Y.3    Sano, T.4    Takehira, K.5
  • 29
    • 61649125350 scopus 로고    scopus 로고
    • 10.1016/j.cej.2009.01.011
    • J. C. S. Wu and H. C. Chou, Chem. Eng. J. 148, 539 (2009). 10.1016/j.cej.2009.01.011
    • (2009) Chem. Eng. J. , vol.148 , pp. 539
    • Wu, J.C.S.1    Chou, H.C.2
  • 31
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
    • G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0 (Pubitemid 126412269)
    • (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 32
    • 12844286241 scopus 로고
    • 10.1103/PhysRevB.47.558
    • G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). 10.1103/PhysRevB.47.558
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 33
    • 27744460065 scopus 로고
    • 10.1103/PhysRevB.49.14251
    • G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994). 10.1103/PhysRevB.49.14251
    • (1994) Phys. Rev. B , vol.49 , pp. 14251
    • Kresse, G.1    Hafner, J.2
  • 34
  • 35
    • 25744460922 scopus 로고
    • 10.1103/PhysRevB.50.17953
    • P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 36
    • 0011236321 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.59.1758
    • G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 38
  • 44
    • 0032659704 scopus 로고    scopus 로고
    • 10.1016/S0039-6028(99)00700-1
    • A. Michaelides and P. Hu, Surf. Sci. 437, 362 (1999). 10.1016/S0039-6028(99)00700-1
    • (1999) Surf. Sci. , vol.437 , pp. 362
    • Michaelides, A.1    Hu, P.2
  • 45
  • 47
    • 33746840117 scopus 로고    scopus 로고
    • Energetics of methane dissociative adsorption on Rh{111} from DFT calculations
    • DOI 10.1016/j.jcat.2006.06.015, PII S0021951706002132
    • B. S. Bunnik and G. J. Kramer, J. Catal. 242, 309 (2006). 10.1016/j.jcat.2006.06.015 (Pubitemid 44175981)
    • (2006) Journal of Catalysis , vol.242 , Issue.2 , pp. 309-318
    • Bunnik, B.S.1    Kramer, G.J.2
  • 49
    • 38649124014 scopus 로고    scopus 로고
    • 10.1016/j.jcat.2007.11.013
    • H. L. Abbott and I. Harrison, J. Catal. 254, 27 (2008). 10.1016/j.jcat.2007.11.013
    • (2008) J. Catal. , vol.254 , pp. 27
    • Abbott, H.L.1    Harrison, I.2
  • 50
    • 22644437585 scopus 로고    scopus 로고
    • Atomic and molecular adsorption on Pt(1 1 1)
    • DOI 10.1016/j.susc.2005.04.028, PII S0039602805004310
    • D. C. Ford, Y. Xu, and M. Mavrikakis, Surf. Sci. 587, 159 (2005). 10.1016/j.susc.2005.04.028 (Pubitemid 41023623)
    • (2005) Surface Science , vol.587 , Issue.3 , pp. 159-174
    • Ford, D.C.1    Xu, Y.2    Mavrikakis, M.3
  • 51
    • 25444522598 scopus 로고    scopus 로고
    • A general scheme for the estimation of oxygen binding energies on binary transition metal surface alloys
    • DOI 10.1016/j.susc.2005.07.018, PII S0039602805008010
    • J. Greeley and J. K. Norskov, Surf. Sci. 592, 104 (2005). 10.1016/j.susc.2005.07.018 (Pubitemid 41375618)
    • (2005) Surface Science , vol.592 , Issue.1-3 , pp. 104-111
    • Greeley, J.1    Norskov, J.K.2
  • 52
    • 0033169144 scopus 로고    scopus 로고
    • 10.1006/jcat.1999.2498
    • C. T. Au, C. F. Ng, and M. S. Liao, J. Catal. 185, 12 (1999). 10.1006/jcat.1999.2498
    • (1999) J. Catal. , vol.185 , pp. 12
    • Au, C.T.1    Ng, C.F.2    Liao, M.S.3
  • 54
    • 0029512476 scopus 로고
    • 10.1016/0039-6028(96)80007-0
    • B. Hammer and J. K. Norskov, Surf. Sci. 343, 211 (1995). 10.1016/0039-6028(96)80007-0
    • (1995) Surf. Sci. , vol.343 , pp. 211
    • Hammer, B.1    Norskov, J.K.2
  • 56
    • 84863694663 scopus 로고    scopus 로고
    • x as well as the calculated electrostatic energy difference.
  • 58
    • 33745753520 scopus 로고    scopus 로고
    • A fast and robust algorithm for Bader decomposition of charge density
    • DOI 10.1016/j.commatsci.2005.04.010, PII S0927025605001849
    • G. Henkelman, A. Arnaldsson, and H. Jonsson, Comput. Mater. Sci. 36, 354 (2006). 10.1016/j.commatsci.2005.04.010 (Pubitemid 44382438)
    • (2006) Computational Materials Science , vol.36 , Issue.3 , pp. 354-360
    • Henkelman, G.1    Arnaldsson, A.2    Jonsson, H.3
  • 62
    • 33947343179 scopus 로고
    • 10.1021/cr60019a001
    • J. N. Bronsted, Chem. Rev. 5, 231 (1928). 10.1021/cr60019a001
    • (1928) Chem. Rev. , vol.5 , pp. 231
    • Bronsted, J.N.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.