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Catalysis Letters

Volumn 141, Issue 1, 2011, Pages 78-82

Direct CO oxidation by lattice oxygen on Zr-doped ceria surfaces

(4) Yang, Zongxian c Fu, Zhaoming a Zhang, Yanning b Wu, Ruqian b

a FUDAN UNIVERSITY (China)

b UNIVERSITY OF CALIFORNIA (United States)

c NONE

Author keywords

CO oxidation; Density functional theory (DFT); Vienna ab initio simulation package (VASP); Zr doped ceria

Indexed keywords

CO OXIDATION; DENSITY-FUNCTIONAL CALCULATIONS; DENSITY-FUNCTIONAL THEORY (DFT); DIRECT OXIDATION; DOPED CERIA; LATTICE OXYGEN; LATTICE OXYGEN ATOMS; VIENNA AB-INITIO SIMULATION PACKAGE (VASP);

ACTIVATION ENERGY; CERIUM COMPOUNDS; DOPING (ADDITIVES); OXIDATION; OXYGEN; TIME VARYING SYSTEMS; WAVE FUNCTIONS; ZIRCONIUM;

DENSITY FUNCTIONAL THEORY;

EID: 79651472353 PISSN: 1011372X EISSN: 1572879X Source Type: Journal
DOI: 10.1007/s10562-010-0446-5 Document Type: Article

Times cited : (39)

References (31)

1
- 23044511415
- Oxygen vacancies and catalysis on ceria surfaces
- DOI 10.1126/science.1113955
- TC Charles HFP Charles 2005 Science 309 713 10.1126/science.1113955 (Pubitemid 41077305)
- (2005) Science , vol.309 , Issue.5735 , pp. 713-714
- Campbell, C.T.¹ Peden, C.H.F.²

2
- 0030285940
- 1:CAS:528:DyaK28XmsVCmsr8%3D 10.1080/01614949608006464
- A Trovarelli 1996 Catal Rev Sci Eng 38 439 520 1:CAS:528: DyaK28XmsVCmsr8%3D 10.1080/01614949608006464
- (1996) Catal Rev Sci Eng , vol.38 , pp. 439-520
- Trovarelli, A.¹

3
- 79651473949
- San Diego, CA, United States, 13-17 March 2005:IEC-123
- Rodriguez JA (2005) Abstracts of papers, 229th ACS national meeting, San Diego, CA, United States, 13-17 March 2005:IEC-123
- (2005) Abstracts of Papers, 229th ACS National Meeting
- Rodriguez, J.A.¹

4
- 33745137069
- Effects of Zr doping on stoichiometric and reduced ceria: A first-principles study
- DOI 10.1063/1.2200354
- Z Yang TK Woo K Hermansson 2006 J Chem Phys 124 224704 10.1063/1.2200354 (Pubitemid 43893873)
- (2006) Journal of Chemical Physics , vol.124 , Issue.22 , pp. 224704
- Yang, Z.¹ Woo, T.K.² Hermansson, K.³

5
- 54249117624
- 1:CAS:528:DC%2BD3sXjsVylt7g%3D
- T Masui N Imanaka 2003 Mater Integr 16 29 33 1:CAS:528: DC%2BD3sXjsVylt7g%3D
- (2003) Mater Integr , vol.16 , pp. 29-33
- Masui, T.¹ Imanaka, N.²

6
- 34748888854
- 2 catalyst for the CO oxidation reaction by surface oxygen removal/oxygen vacancy formation
- DOI 10.1016/j.jcat.2007.07.026, PII S0021951707002953
- D Widmann R Leppelt RJ Behm 2007 J Catal 251 437 442 1:CAS:528: DC%2BD2sXhtFersLfL 10.1016/j.jcat.2007.07.026 (Pubitemid 47488305)
- (2007) Journal of Catalysis , vol.251 , Issue.2 , pp. 437-442
- Widmann, D.¹ Leppelt, R.² Behm, R.J.³

7
- 85008399371
- 1:CAS:528:DyaG28Xks1Wq 10.1016/S0009-2509(54)80005-4
- P Mars DW van Krevelen 1954 Chem Eng Sci 3 41 1:CAS:528:DyaG28Xks1Wq 10.1016/S0009-2509(54)80005-4
- (1954) Chem Eng Sci , vol.3 , pp. 41
- Mars, P.¹ Van Krevelen, D.W.²

8
- 33751011882
- 2
- DOI 10.1016/j.jcat.2006.10.009, PII S0021951706003526
- V Shapovalov H Metiu 2007 J Catal 245 205 214 1:CAS:528: DC%2BD28Xht1CmtbfF 10.1016/j.jcat.2006.10.009 (Pubitemid 44750961)
- (2007) Journal of Catalysis , vol.245 , Issue.1 , pp. 205-214
- Shapovalov, V.¹ Metiu, H.²

9
- 43849105752
- 1:CAS:528:DC%2BD1cXmt1OltrY%3D 10.1016/j.susc.2008.02.036
- Y Chen P Hu M-H Lee H Wang 2008 Surf Sci 602 1736 1741 1:CAS:528:DC%2BD1cXmt1OltrY%3D 10.1016/j.susc.2008.02.036
- (2008) Surf Sci , vol.602 , pp. 1736-1741
- Chen, Y.¹ Hu, P.² Lee, M.-H.³ Wang, H.⁴

10
- 0030190741
- 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 J Furthmuller 1996 Comput Mater Sci 6 15 50 1:CAS:528: DyaK28XmtFWgsrk%3D 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

11
- 4243943295
- 1:CAS:528:DyaK28XmsVCgsbs%3D 10.1103/PhysRevLett.77.3865
- JP Perdew K Burke M Ernzerhof 1996 Phys Rev Lett 77 3865 3868 1:CAS:528:DyaK28XmsVCgsbs%3D 10.1103/PhysRevLett.77.3865
- (1996) Phys Rev Lett , vol.77 , pp. 3865-3868
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

12
- 2442537377
- 1:CAS:528:DyaK28Xms1Whu7Y%3D 10.1103/PhysRevB.54.11169
- G Kresse J Furthmuller 1996 Phys Rev B 54 11169 1:CAS:528: DyaK28Xms1Whu7Y%3D 10.1103/PhysRevB.54.11169
- (1996) Phys Rev B , vol.54 , pp. 11169
- Kresse, G.¹ Furthmuller, J.²

13
- 25744460922
- 1:CAS:528:DyaK2MXivFKisLk%3D 10.1103/PhysRevB.50.17953
- PE Bloechl 1994 Phys Rev B 50 17953 17979 1:CAS:528:DyaK2MXivFKisLk%3D 10.1103/PhysRevB.50.17953
- (1994) Phys Rev B , vol.50 , pp. 17953-17979
- Bloechl, P.E.¹

14
- 0001437693
- 1:CAS:528:DyaK3MXkvVaqsLs%3D 10.1103/PhysRevB.44.943
- VI Anisimov J Zaanen OK Andersen 1991 Phys Rev B 44 943 954 1:CAS:528:DyaK3MXkvVaqsLs%3D 10.1103/PhysRevB.44.943
- (1991) Phys Rev B , vol.44 , pp. 943-954
- Anisimov, V.I.¹ Zaanen, J.² Andersen, O.K.³

15
- 27644505071
- The electronic structure of oxygen vacancy defects at the low index surfaces of ceria
- DOI 10.1016/j.susc.2005.08.015, PII S003960280500926X
- M Nolan SC Parker GW Watson 2005 Surf Sci 595 223 232 1:CAS:528:DC%2BD2MXhtFOhsbnP 10.1016/j.susc.2005.08.015 (Pubitemid 41562887)
- (2005) Surface Science , vol.595 , Issue.1-3 , pp. 223-232
- Nolan, M.¹ Parker, S.C.² Watson, G.W.³

16
- 33846442083
- 10.1103/PhysRevB.75.035109
- DA Andersson SI Simak B Johansson IA Abrikosov NV Skorodumova 2007 Phys Rev B 75 035109 10.1103/PhysRevB.75.035109
- (2007) Phys Rev B , vol.75 , pp. 035109
- Andersson, D.A.¹ Simak, S.I.² Johansson, B.³ Abrikosov, I.A.⁴ Skorodumova, N.V.⁵

17
- 43949110249
- Modeling doped and defective oxides in catalysis with density functional theory methods: Room for improvements
- DOI 10.1063/1.2819245
- G Pacchioni 2008 J Chem Phys 128 182505 182510 10.1063/1.2819245 (Pubitemid 351707220)
- (2008) Journal of Chemical Physics , vol.128 , Issue.18 , pp. 182505
- Pacchioni, G.¹

18
- 1842816907
- 10.1103/PhysRevB.13.5188
- HJ Monkhorst JD Pack 1976 Phys Rev B 13 5188 10.1103/PhysRevB.13.5188
- (1976) Phys Rev B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

19
- 0034513054
- Climbing image nudged elastic band method for finding saddle points and minimum energy paths
- DOI 10.1063/1.1329672
- G Henkelman BP Uberuaga H Jónsson 2000 J Chem Phys 113 9901 1:CAS:528:DC%2BD3cXosFagurc%3D 10.1063/1.1329672 (Pubitemid 32076883)
- (2000) Journal of Chemical Physics , vol.113 , Issue.22 , pp. 9901-9904
- Henkelman, G.¹ Uberuaga, B.P.² Jonsson, H.³

20
- 0003722457
- Gschneider, KA Eyring L (eds) North-Holland, Amsterdam
- Eyring L (1979) In: Gschneider, KA Eyring L (eds) Handbook on the physics and chemistry of rare earths. North-Holland, Amsterdam
- (1979) Handbook on the Physics and Chemistry of Rare Earths
- Eyring, L.¹

21
- 0037451813
- 1:CAS:528:DC%2BD3sXit1Kqtbo%3D 10.1021/jp022323i
- JA Rodriguez JC Hanson J-Y Kim G Liu A Iglesias-Juez M Fernandez-Garcia 2003 J Phys Chem B 107 3535 3543 1:CAS:528:DC%2BD3sXit1Kqtbo%3D 10.1021/jp022323i
- (2003) J Phys Chem B , vol.107 , pp. 3535-3543
- Rodriguez, J.A.¹ Hanson, J.C.² Kim, J.-Y.³ Liu, G.⁴ Iglesias-Juez, A.⁵ Fernandez-Garcia, M.⁶

22
- 4644265529
- 10.1103/PhysRevB.59.7413
- B Hammer LB Hansen JK Norskov 1999 Phys Rev B 59 7413 7421 10.1103/PhysRevB.59.7413
- (1999) Phys Rev B , vol.59 , pp. 7413-7421
- Hammer, B.¹ Hansen, L.B.² Norskov, J.K.³

23
- 0001474207
- 1:CAS:528:DyaK1MXkslCgs7g%3D 10.1021/jp991127h
- A Siokou RM Nix 1999 J Phys Chem B 103 6984 6997 1:CAS:528: DyaK1MXkslCgs7g%3D 10.1021/jp991127h
- (1999) J Phys Chem B , vol.103 , pp. 6984-6997
- Siokou, A.¹ Nix, R.M.²

24
- 34548079832
- Oxygen vacancy formation energy in Pd-doped ceria: A DFT+U study
- DOI 10.1063/1.2752504
- Z Yang G Luo Z Lu 2007 J Chem Phys 127 074704 10.1063/1.2752504 (Pubitemid 47294379)
- (2007) Journal of Chemical Physics , vol.127 , Issue.7 , pp. 074704
- Yang, Z.¹ Luo, G.² Lu, Z.³ Hermansson, K.⁴

25
- 4544334753
- 1:CAS:528:DC%2BD2cXnsVGqu7w%3D 10.1016/j.cplett.2004.08.078
- Z Yang TK Woo K Hermansson 2004 Chem Phys Lett 396 384 392 1:CAS:528:DC%2BD2cXnsVGqu7w%3D 10.1016/j.cplett.2004.08.078
- (2004) Chem Phys Lett , vol.396 , pp. 384-392
- Yang, Z.¹ Woo, T.K.² Hermansson, K.³

26
- 33748610799
- 1:CAS:528:DC%2BD28XnsFemsL0%3D
- M Nolan GW Watson 2006 J Phys Chem 110 16600 16606 1:CAS:528: DC%2BD28XnsFemsL0%3D
- (2006) J Phys Chem , vol.110 , pp. 16600-16606
- Nolan, M.¹ Watson, G.W.²

27
- 33745753520
- 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 H Jonsson 2006 Comput Mater Sci 36 254 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

28
- 71749093383
- Higher Education Press Beijing
- Chen H (2005) Advanced inorganic chemistry. Higher Education Press, Beijing
- (2005) Advanced Inorganic Chemistry
- Chen, H.¹

29
- 40649109260
- 1:CAS:528:DC%2BD1cXjsVSmsrs%3D 10.1016/j.susc.2008.01.013
- Z Yang Y Wei Z Fu Z Lu K Hermansson 2008 Surf Sci 602 1199 1206 1:CAS:528:DC%2BD1cXjsVSmsrs%3D 10.1016/j.susc.2008.01.013
- (2008) Surf Sci , vol.602 , pp. 1199-1206
- Yang, Z.¹ Wei, Y.² Fu, Z.³ Lu, Z.⁴ Hermansson, K.⁵

30
- 33750942480
- Oxygen vacancy formation and migration in ceria
- DOI 10.1016/j.ssi.2006.07.045, PII S0167273806004528, Proceedings of the E-MRS Symposium P on Solid State Ionics: Mass and Charge Transport at Various Length Scales
- M Nolan JE Fearon GW Watson 2006 Solid State Ion 177 3069 3074 1:CAS:528:DC%2BD28Xht1Wlt7vP 10.1016/j.ssi.2006.07.045 (Pubitemid 44738111)
- (2006) Solid State Ionics , vol.177 , Issue.35-36 , pp. 3069-3074
- Nolan, M.¹ Fearon, J.E.² Watson, G.W.³

31
- 2342570944
- 1:CAS:528:DC%2BD2cXivFOntLY%3D 10.1063/1.1688316
- Z Yang TK Woo M Baudin K Hermansson 2004 J Chem Phys 120 7741 7749 1:CAS:528:DC%2BD2cXivFOntLY%3D 10.1063/1.1688316
- (2004) J Chem Phys , vol.120 , pp. 7741-7749
- Yang, Z.¹ Woo, T.K.² Baudin, M.³ Hermansson, K.⁴

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