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Volumn 118, Issue 23, 2014, Pages 12216-12223

Single Pd atom embedded in CeO2(111) for NO reduction with CO: A first-principles study

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; CARBON DIOXIDE; ELECTRONIC STRUCTURE;

EID: 84902462953     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp503745c     Document Type: Article
Times cited : (113)

References (52)
  • 1
    • 0034610861 scopus 로고    scopus 로고
    • NOx storage-reduction catalyst for automotive exhaust with improved tolerance against sulfur poisoning
    • Matsumoto, S. i.; Ikeda, Y.; Suzuki, H.; Ogai, M.; Miyoshi, N. NOx storage-reduction catalyst for automotive exhaust with improved tolerance against sulfur poisoning Appl. Catal., B 2000, 25, 115-124
    • (2000) Appl. Catal., B , vol.25 , pp. 115-124
    • Matsumoto, S.I.1    Ikeda, Y.2    Suzuki, H.3    Ogai, M.4    Miyoshi, N.5
  • 2
    • 79959506571 scopus 로고    scopus 로고
    • x storage/reduction catalysts: Mechanism, materials and degradation studies
    • x storage/reduction catalysts: mechanism, materials and degradation studies Catal. Sci. Technol. 2011, 1, 552-568
    • (2011) Catal. Sci. Technol. , vol.1 , pp. 552-568
    • Liu, G.1    Gao, P.-X.2
  • 3
    • 5644242015 scopus 로고    scopus 로고
    • Overview of the fundamental reactions and degradation mechanisms of NOx storage/reduction catalysts
    • Epling, W. S.; Campbell, L. E.; Yezerets, A.; Currier, N. W.; Parks, J. E. Overview of the fundamental reactions and degradation mechanisms of NOx storage/reduction catalysts Catal. Rev. 2004, 46, 163-245
    • (2004) Catal. Rev. , vol.46 , pp. 163-245
    • Epling, W.S.1    Campbell, L.E.2    Yezerets, A.3    Currier, N.W.4    Parks, J.E.5
  • 4
    • 78649353043 scopus 로고    scopus 로고
    • Review of chemical reactions in the NO reduction by CO on rhodium/alumina catalysts
    • Srinivasan, A.; Depcik, C. Review of chemical reactions in the NO reduction by CO on rhodium/alumina catalysts Catal. Rev. 2010, 52, 462-493
    • (2010) Catal. Rev. , vol.52 , pp. 462-493
    • Srinivasan, A.1    Depcik, C.2
  • 5
    • 0033535430 scopus 로고    scopus 로고
    • NO decomposition and NO reduction by CO over Pd/α-Al2O3
    • Pisanu, A. M.; Gigola, C. E. NO decomposition and NO reduction by CO over Pd/α-Al2O3 Appl. Catal., B 1999, 20, 179-189
    • (1999) Appl. Catal., B , vol.20 , pp. 179-189
    • Pisanu, A.M.1    Gigola, C.E.2
  • 6
    • 33644850208 scopus 로고    scopus 로고
    • Reduction of stored NOx on Pt/Al2O3 and Pt/BaO/Al2O3 catalysts with H2 and CO
    • Szailer, T.; Kwak, J. H.; Kim, D. H.; Hanson, J. C.; Peden, C. H. F.; Szanyi, J. Reduction of stored NOx on Pt/Al2O3 and Pt/BaO/Al2O3 catalysts with H2 and CO J. Catal. 2006, 239, 51-64
    • (2006) J. Catal. , vol.239 , pp. 51-64
    • Szailer, T.1    Kwak, J.H.2    Kim, D.H.3    Hanson, J.C.4    Peden, C.H.F.5    Szanyi, J.6
  • 7
    • 0342501775 scopus 로고    scopus 로고
    • 2 by combustion method: Effect of metal-ceria interaction on catalytic activities for NO reduction and CO and hydrocarbon oxidation
    • 2 by combustion method: Effect of metal-ceria interaction on catalytic activities for NO reduction and CO and hydrocarbon oxidation J. Catal. 2000, 196, 293-301
    • (2000) J. Catal. , vol.196 , pp. 293-301
    • Bera, P.1    Patil, K.C.2    Jayaram, V.3    Subbanna, G.N.4    Hegde, M.S.5
  • 10
    • 79960998439 scopus 로고    scopus 로고
    • NO reduction over noble metal ionic catalysts
    • Bera, P.; Hegde, M. S. NO reduction over noble metal ionic catalysts Catal. Surv. Asia 2011, 15, 181-199
    • (2011) Catal. Surv. Asia , vol.15 , pp. 181-199
    • Bera, P.1    Hegde, M.S.2
  • 11
    • 38849119777 scopus 로고    scopus 로고
    • x catalyst to Pt or Rh metal ion doped ceria
    • x catalyst to Pt or Rh metal ion doped ceria Catal. Commun. 2008, 9, 811-815
    • (2008) Catal. Commun. , vol.9 , pp. 811-815
    • Roy, S.1    Hegde, M.S.2
  • 15
    • 0032508688 scopus 로고    scopus 로고
    • Onset of catalytic activity of gold clusters on titania with the appearance of nonmetallic properties
    • Valden, M.; Lai, X.; Goodman, D. W. Onset of catalytic activity of gold clusters on titania with the appearance of nonmetallic properties Science 1998, 281, 1647-1650
    • (1998) Science , vol.281 , pp. 1647-1650
    • Valden, M.1    Lai, X.2    Goodman, D.W.3
  • 16
    • 61849127866 scopus 로고    scopus 로고
    • Complementary structure sensitive and insensitive catalytic relationships
    • Van Santen, R. A. Complementary structure sensitive and insensitive catalytic relationships Acc. Chem. Res. 2008, 42, 57-66
    • (2008) Acc. Chem. Res. , vol.42 , pp. 57-66
    • Van Santen, R.A.1
  • 17
    • 51149101216 scopus 로고    scopus 로고
    • Identification of active gold nanoclusters on iron oxide supports for CO oxidation
    • Herzing, A. A.; Kiely, C. J.; Carley, A. F.; Landon, P.; Hutchings, G. J. Identification of active gold nanoclusters on iron oxide supports for CO oxidation Science 2008, 321, 1331-1335
    • (2008) Science , vol.321 , pp. 1331-1335
    • Herzing, A.A.1    Kiely, C.J.2    Carley, A.F.3    Landon, P.4    Hutchings, G.J.5
  • 25
    • 84878051366 scopus 로고    scopus 로고
    • Catalysis by doped oxides
    • McFarland, E. W.; Metiu, H. Catalysis by doped oxides Chem. Rev. 2013, 113, 4391-4427
    • (2013) Chem. Rev. , vol.113 , pp. 4391-4427
    • McFarland, E.W.1    Metiu, H.2
  • 26
    • 79959946078 scopus 로고    scopus 로고
    • Enhanced oxygen vacancy formation in ceria (111) and (110) surfaces doped with divalent cations
    • Nolan, M. Enhanced oxygen vacancy formation in ceria (111) and (110) surfaces doped with divalent cations J. Mater. Chem. 2011, 21, 9160-9168
    • (2011) J. Mater. Chem. , vol.21 , pp. 9160-9168
    • Nolan, M.1
  • 27
    • 84861691810 scopus 로고    scopus 로고
    • 3+ upon adsorption of metal atoms at the ceria (110) surface
    • 3+ upon adsorption of metal atoms at the ceria (110) surface J. Chem. Phys. 2012, 136, 134703
    • (2012) J. Chem. Phys. , vol.136 , pp. 134703
    • Nolan, M.1
  • 28
    • 61649115179 scopus 로고    scopus 로고
    • Molecular adsorption on the doped (110) ceria surface
    • Nolan, M. Molecular adsorption on the doped (110) ceria surface J. Phys. Chem. C 2009, 113, 2425-2432
    • (2009) J. Phys. Chem. C , vol.113 , pp. 2425-2432
    • Nolan, M.1
  • 29
    • 49849097241 scopus 로고    scopus 로고
    • Vacancy formation and CO adsorption on gold-doped ceria surfaces
    • Nolan, M.; Verdugo, V. S.; Metiu, H. Vacancy formation and CO adsorption on gold-doped ceria surfaces Surf. Sci. 2008, 602, 2734-2742
    • (2008) Surf. Sci. , vol.602 , pp. 2734-2742
    • Nolan, M.1    Verdugo, V.S.2    Metiu, H.3
  • 31
    • 84858329707 scopus 로고    scopus 로고
    • 2(111) surface
    • 2(111) surface J. Phys. Chem. C 2012, 116, 6239-6246
    • (2012) J. Phys. Chem. C , vol.116 , pp. 6239-6246
    • Chen, H.-T.1
  • 35
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • Kresse, G.; Furthmuller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Comput. Mater. Sci. 1996, 6, 15-50
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 36
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • Kresse, G.; Furthmuller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 1996, 54, 11169
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmuller, J.2
  • 37
    • 27744460065 scopus 로고
    • Ab initio molecular-dynamics simulation of the liquid- metal&;amorphous-semiconductor transition in germanium
    • Kresse, G.; Hafner, J. Ab initio molecular-dynamics simulation of the liquid-metal&;amorphous-semiconductor transition in germanium Phys. Rev. B 1994, 49, 14251
    • (1994) Phys. Rev. B , vol.49 , pp. 14251
    • Kresse, G.1    Hafner, J.2
  • 38
    • 35949007146 scopus 로고
    • Ab initio molecular dynamics for open-shell transition metals
    • Kresse, G.; Hafner, J. Ab initio molecular dynamics for open-shell transition metals Phys. Rev. B 1993, 48, 13115
    • (1993) Phys. Rev. B , vol.48 , pp. 13115
    • Kresse, G.1    Hafner, J.2
  • 39
    • 79953762188 scopus 로고    scopus 로고
    • 2(110) surface: The key role of dopant ionic radius
    • 2(110) surface: The key role of dopant ionic radius J. Phys. Chem. C 2011, 115, 6671-6681
    • (2011) J. Phys. Chem. C , vol.115 , pp. 6671-6681
    • Nolan, M.1
  • 40
    • 65249083358 scopus 로고    scopus 로고
    • Healing of oxygen vacancies on reduced surfaces of gold-doped ceria
    • Nolan, M. Healing of oxygen vacancies on reduced surfaces of gold-doped ceria J. Chem. Phys. 2009, 130, 144702
    • (2009) J. Chem. Phys. , vol.130 , pp. 144702
    • Nolan, M.1
  • 41
    • 0034513054 scopus 로고    scopus 로고
    • A climbing image nudged elastic band method for finding saddle points and minimum energy paths
    • Henkelman, G.; Uberuaga, B. P.; Jonsson, H. A climbing image nudged elastic band method for finding saddle points and minimum energy paths J. Chem. Phys. 2000, 113, 9901-9904
    • (2000) J. Chem. Phys. , vol.113 , pp. 9901-9904
    • Henkelman, G.1    Uberuaga, B.P.2    Jonsson, H.3
  • 42
    • 1242329035 scopus 로고    scopus 로고
    • Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
    • Henkelman, G.; Jonsson, H. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points J. Chem. Phys. 2000, 113, 9978-9985
    • (2000) J. Chem. Phys. , vol.113 , pp. 9978-9985
    • Henkelman, G.1    Jonsson, H.2
  • 47
    • 53649098021 scopus 로고    scopus 로고
    • CO adsorption and oxidation on ceria surfaces from DFT+U calculations
    • Huang, M.; Fabris, S. CO adsorption and oxidation on ceria surfaces from DFT+U calculations J. Phys. Chem. C 2008, 112, 8643-8648
    • (2008) J. Phys. Chem. C , vol.112 , pp. 8643-8648
    • Huang, M.1    Fabris, S.2
  • 50
    • 50249167176 scopus 로고    scopus 로고
    • 2: The importance of spin conservation
    • 2: The importance of spin conservation J. Chem. Phys. 2008, 129, 074705
    • (2008) J. Chem. Phys. , vol.129 , pp. 074705
    • Chrétien, S.1    Metiu, H.2
  • 51
    • 0042597557 scopus 로고    scopus 로고
    • Bond activation at monatomic steps: NO dissociation at corrugated Ru(0001)
    • Hammer, B. Bond activation at monatomic steps: NO dissociation at corrugated Ru(0001) Phys. Rev. Lett. 1999, 83, 3681-3684
    • (1999) Phys. Rev. Lett. , vol.83 , pp. 3681-3684
    • Hammer, B.1
  • 52
    • 77955286899 scopus 로고    scopus 로고
    • Theory of nitride oxide adsorption on transition metal (111) surfaces: A first-principles investigation
    • Zeng, Z.-H.; Da Silva, J. L. F.; Li, W.-X. Theory of nitride oxide adsorption on transition metal (111) surfaces: a first-principles investigation Phys. Chem. Chem. Phys. 2010, 12, 2459-2470
    • (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 2459
    • Zeng, Z.-H.1    Da Silva, J.L.F.2    Li, W.-X.3


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