Performance, structure, and mechanism of CeO 2 in HCl oxidation to Cl 2

Journal of Catalysis

Volumn 286, Issue , 2012, Pages 287-297

  Amrute, Amol P ^a   Mondelli, Cecilia ^a   Moser, Maximilian ^a   Novell Leruth, Gerard ^b   López, Núria ^b   Rosenthal, Dirk ^c   Farra, Ramzi ^c   Schuster, Manfred E ^c   Teschner, Detre ^c,d   Schmidt, Timm ^e   Pérez Ramírez, Javier ^a  

^a ETH ZURICH   (Switzerland)

^b INSTITUTE OF CHEMICAL RESEARCH OF CATALONIA ICIQ   (Spain)

^c FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^d INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

^e Formerly Baver Material Science AG   (Germany)

Author keywords

CeO 2; Chlorination; Chlorine recycling; HCl oxidation; Oxygen vacancies

Indexed keywords

ACTIVE SITE; ACTIVITY LEVELS; CEO 2; DENSITY FUNCTIONAL THEORY SIMULATIONS; DESCRIPTORS; EXCESS OXYGEN; HIGH ENERGY; IN-LINE; LOWER COST; MOLECULAR LEVELS; RATE DETERMINING STEP; RE-OXIDATION; RICH CONDITIONS; STEADY-STATE KINETICS; STRUCTURAL STABILITIES; SUBSURFACE LAYER; THEORETICAL STUDY;

CALCINATION; CHLORINATION; CHLORINE; DENSITY FUNCTIONAL THEORY; DYNAMIC RESPONSE; OXIDATION; OXYGEN; RECYCLING; RUTHENIUM COMPOUNDS; STABILITY; THERMOGRAVIMETRIC ANALYSIS; X RAY DIFFRACTION; X RAY PHOTOELECTRON SPECTROSCOPY;

OXYGEN VACANCIES;

EID: 84855573244     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2011.11.016     Document Type: Article

References (63)

1. J. Pérez-Ramírez, C. Mondelli, T. Schmidt, O.F.-K. Schlüter, A. Wolf, L. Mleczko, and T. Dreier Energy Environ. Sci. 4 2011 4786
2. K. Seki Catal. Surv. Asia 14 2010 168
3. H. Deacon, US Patent 85,370, Assigned to Gaskell, Deacon and Co., 1868.
4. A.J. Johnson, A.J. Cherniavsky, US Patent 2542,961, Assigned to Shell Development Company, 1951.
5. T. Kiyoura, N. Fujimoto, M. Ajioka, T. Suzuki, Y. Kogure, K. Kanaya, T. Nagayama, EP184413-A, Assigned to Mitsui Toatsu Chemicals, 1984.
6. T. Hibi, H. Nishida, H. Abekawa, US Patent 5871,707, Assigned to Sumitomo Chemical Company, 1999.
7. C. Mondelli, A.P. Amrute, F. Krumeich, T. Schmidt, and J. Pérez-Ramírez ChemCatChem 3 2011 657
8. A. Wolf, L. Mleczko, O.F. Schlüter, S. Schubert, EP2026905, Assigned to Bayer MaterialScience, 2006.
9. M.A.G. Hevia, A.P. Amrute, T. Schmidt, and J. Pérez-Ramírez J. Catal. 276 2010 141
10. D. Crihan, M. Knapp, S. Zweidinger, E. Lundgren, C.J. Weststrate, J.N. Andersen, A.P. Seitsonen, and H. Over Angew. Chem. Int. Ed. 47 2008 2131
11. J.P. Hofmann, S. Zweidinger, A.P. Seitsonen, A. Farkas, M. Knapp, O. Balmes, E. Lundgren, J.N. Andersen, and H. Over Phys. Chem. Chem. Phys. 12 2010 15358
12. Retrieved from .
13. C. Mondelli, A.P. Amrute, T. Schmidt, and J. Pérez-Ramírez Chem. Commun. 47 2011 7173
14. R.W.G. Wyckoff Crystal Structures 1965 Interscience New York
15. R.J. Gorte AIChE J. 56 2010 1126
16. Q. Fu, H. Saltsburg, and M. Flytzani-Stephanopoulos Science 301 2003 935
17. A. Primo, T. Marino, A. Corma, R. Molinari, and H. Garcia J. Am. Chem. Soc. 133 2011 6930
18. Y.S. Chaudhary, S. Panigrahi, S. Nayak, B. Sarpati, S. Bhattacharjee, and N. Kulkarni J. Mater. Chem. 20 2010 2381
19. M. Mogensen, N.M. Sammes, and G.A. Tompsett Solid State Ion. 129 2000 63
20. B. Zhu, and M.D. Mat Int. J. Electrochem. Sci. 1 2006 383
21. F. Zhou, X. Zhao, H. Xu, and C. Yuan J. Phys. Chem. C 111 2007 1651
22. A. Trovarelli Catal. Rev.-Sci. Eng. 38 1996 439
23. A. Gómez-Cortés, Y. Márquez, J. Arenas-Alatorre, and G. Díaz Catal. Today 133-135 2008 743
24. A. Martínez-Arias, A.B. Hungría, G. Munuera, and D. Gamarra Appl. Catal. B 65 2006 207
25. W. Shin, C. Jung, J. Han, S. Nam, T. Lim, S. Hong, and H. Lee J. Ind. Eng. Chem. 10 2004 302
26. T.X.T. Sayle, S.C. Parker, and C.R.A. Catlow Surf. Sci. 316 1994 329
27. H.C. Yao, and Y.F.Y. Yao J. Catal. 86 1984 254
28. F. Esch, S. Fabris, L. Zhou, T. Montini, C. Africh, P. Fornasiero, G. Comelli, and R. Rosei Science 309 2005 752
29. N. Laosiripojana, W. Sutthisripok, P. Kim-Lohsoontorn, and S. Assabumrungrat Int. J. Hydrogen Energy 35 2010 6747
30. R. Di Monte, and J. Kašpar Top. Catal. 28 2004 47
31. A. Hagemeyer, P. Trübenbach, C.W. Rieker, M. Wünsch, O. Watzernberger, EP Patent 0761594-A1, Assigned to BASF Aktiengesellschaft, 1997.
32. A. Wolf, L. Mleczko, O.F. Schlüter, S. Schubert, WO2010133313-A1, Assigned to Bayer Material Science, 2010.
33. G. Lee, S.W. Lee, I. Sohn, Y.C. Kwon, J. Song, C.-S. Son, WO2009035234-A2, Assigned to Hanwha Chemical Corporation, 2009.
34. G. Dutta, U.V. Waghmare, T. Baidya, M.S. Hegde, K.R. Priolkar, and P.R. Sarode Chem. Mater. 18 2006 3249
35. G.R. Rao, and B.G. Mishra Bull. Catal. Soc. India 2 2003 122
36. H.A. Al-Madfaa, and M.M. Khader Mater. Chem. Phys. 86 2004 180
37. B.M. Reddy, P. Bharali, and P. Saikia J. Phys. Chem. C 112 2008 11729
38. F. Deganello, and A. Martorana J. Solid State Chem. 163 2002 527
39. A.P. Amrute, C. Mondelli, M.A.G. Hevia, and J. Pérez- Ramírez J. Phys. Chem. C 115 2011 1056
40. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
41. J.-P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
42. M. Cococcioni, and S. Gironcoli Phys. Rev. B 71 2005 035105
43. M.V. Ganduglia-Pirovano, J.L.F. Da Silva, and J. Sauer Phys. Rev. Lett. 102 2009 026101 (references therein)
44. P.E. Blöchl Phys. Rev. B 50 1994 17953
45. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
46. G. Henkelman, B.P. Uberuaga, and H. Jonsson J. Chem. Phys. 113 2000 9901
47. D. Terribile, A. Trovarelli, C. de Leitenburg, G. Dolcetti, and J. Llorca Chem. Mater. 9 1997 2676
48. M.W.M. Hisham, and S.W. Benson J. Phys. Chem. 99 1995 6194
49. A.P. Amrute, C. Mondelli, M.A.G. Hevia, and J. Pérez- Ramírez ACS Catal. 1 2011 583
50. S. Tanuma, C.J. Powell, and D.R. Penn Surf. Interface Anal. 21 1994 165
51. D. Teschner, R. Farra, L.-D. Yao, R. Schlogl, H. Soerijanto, R. Schomaecker, T. Schmidt, L. Szentmiklósi, A.P. Amrute, C. Mondelli, J. Pérez-Ramírez, G. Novell-Leruth, and N. Lopez J. Catal. 285 2012 273
52. A. Badri, C. Binet, and J. Lavalley Faraday Trans. 92 1996 4669
53. A. Laachir, V. Perrichon, A. Badri, J. Lamotte, E. Catherine, J.C. Lavalley, J. El Fallah, L. Hilaire, F. Le Normand, E.E. Quémé ré, G.N. Sauvion, and O. Touret Faraday Trans. 87 1991 1601
54. C. Binet, M. Daturi, and J. Lavalley Catal. Today 50 1999 207
55. T.B. Lindemer, and J. Brynestad J. Am. Ceram. Soc. 69 1986 867
56. J. Carrasco, N. Lopez, and F. Illas Phys. Rev. Lett. 93 2004 225502
57. J. Carrasco, F. Illas, N. Lopez, E.A. Kotomin, Y.F. Zhukovskii, R.A. Evarestov, Y.A. Mastrikov, S. Piskunov, and J. Maier Phys. Rev. B 73 2006 064106
58. P.M. Kowalski, M.F. Camellone, N.N. Nair, B. Meyer, and D. Marx Phys. Rev. Lett. 105 2010 146405
59. S. Chretien, and H. Metiu J. Phys. Chem. C 115 2011 4696
60. P.P. Dholabhai, J.B. Adams, P. Crozier, and R. Sharma J. Chem. Phys. 132 2010 094104
61. N. Lopez, J.D. Prades, F. Hernandez-Ramirez, J.R. Morante, J. Pan, and S. Mathur Phys. Chem. Chem. Phys. 12 2010 2401
62. X.G. Wang, A. Chaka, and M. Scheffler Phys. Rev. Lett. 84 2000 3650
63. D.A. McQuarrie, and J.D. Simon Molecular Thermodynamics 1999 University Science Books Sausalito, California