Characterization of O2-CeO2 Interactions Using In Situ Raman Spectroscopy and First-Principle Calculations
Interactions between O2 and CeO2 are examined experimentally using in situ Raman spectroscopy and theoretically using density‐functional slab‐model calculations. Two distinct oxygen bands appear at 825 and 1131 cm−1, corresponding to peroxo‐ and superoxo‐like species, respectively, when partially re...
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| Published in | Chemphyschem Vol. 7; no. 9; pp. 1957 - 1963 |
|---|---|
| Main Authors | , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Weinheim
WILEY-VCH Verlag
11.09.2006
WILEY‐VCH Verlag Wiley |
| Subjects | |
| Online Access | Get full text |
| ISSN | 1439-4235 1439-7641 |
| DOI | 10.1002/cphc.200600190 |
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| Abstract | Interactions between O2 and CeO2 are examined experimentally using in situ Raman spectroscopy and theoretically using density‐functional slab‐model calculations. Two distinct oxygen bands appear at 825 and 1131 cm−1, corresponding to peroxo‐ and superoxo‐like species, respectively, when partially reduced CeO2 is exposed to 10 % O2. Periodic density‐functional theory (DFT) calculations aid the interpretation of spectroscopic observations and provide energetic and geometric information for the dioxygen species adsorbed on CeO2. The O2 adsorption energies on unreduced CeO2 surfaces are endothermic (0.91<ΔEads<0.98 eV), while those on reduced surfaces are exothermic (−4. 0<ΔEads<−0.9 eV), depending on other relevant surface processes such as chemisorption and diffusion into the bulk. Partial reduction of surface Ce4+ to Ce3+ (together with formation of oxygen vacancies) alters geometrical parameters and, accordingly, leads to a shift in the vibrational frequencies of adsorbed oxygen species compared to those on unreduced CeO2. Moreover, the location of oxygen vacancies affects the formation and subsequent dissociation of oxygen species on the surfaces. DFT predictions of the energetics support the experimental observation that the reduced surfaces are energetically more favorable than the unreduced surfaces for oxygen adsorption and reduction.
Lack of oxygen: O2–CeO2 interactions are explored using Raman spectroscopy (see figure) and density functional calculations, yielding energetic and geometric information. The location of oxygen vacancies influences the formation and dissociation of adsorbed oxygen species and a reduced surface is shown to be energetically more favorable for oxygen reduction. |
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| AbstractList | Interactions between O2 and CeO2 are examined experimentally using in situ Raman spectroscopy and theoretically using density‐functional slab‐model calculations. Two distinct oxygen bands appear at 825 and 1131 cm−1, corresponding to peroxo‐ and superoxo‐like species, respectively, when partially reduced CeO2 is exposed to 10 % O2. Periodic density‐functional theory (DFT) calculations aid the interpretation of spectroscopic observations and provide energetic and geometric information for the dioxygen species adsorbed on CeO2. The O2 adsorption energies on unreduced CeO2 surfaces are endothermic (0.91<ΔEads<0.98 eV), while those on reduced surfaces are exothermic (−4. 0<ΔEads<−0.9 eV), depending on other relevant surface processes such as chemisorption and diffusion into the bulk. Partial reduction of surface Ce4+ to Ce3+ (together with formation of oxygen vacancies) alters geometrical parameters and, accordingly, leads to a shift in the vibrational frequencies of adsorbed oxygen species compared to those on unreduced CeO2. Moreover, the location of oxygen vacancies affects the formation and subsequent dissociation of oxygen species on the surfaces. DFT predictions of the energetics support the experimental observation that the reduced surfaces are energetically more favorable than the unreduced surfaces for oxygen adsorption and reduction.
Lack of oxygen: O2–CeO2 interactions are explored using Raman spectroscopy (see figure) and density functional calculations, yielding energetic and geometric information. The location of oxygen vacancies influences the formation and dissociation of adsorbed oxygen species and a reduced surface is shown to be energetically more favorable for oxygen reduction. Interactions between O(2) and CeO(2) are examined experimentally using in situ Raman spectroscopy and theoretically using density-functional slab-model calculations. Two distinct oxygen bands appear at 825 and 1131 cm(-1), corresponding to peroxo- and superoxo-like species, respectively, when partially reduced CeO(2) is exposed to 10 % O(2). Periodic density-functional theory (DFT) calculations aid the interpretation of spectroscopic observations and provide energetic and geometric information for the dioxygen species adsorbed on CeO(2). The O(2) adsorption energies on unreduced CeO(2) surfaces are endothermic (0.91<DeltaE(ads)<0.98 eV), while those on reduced surfaces are exothermic (-4. 0<DeltaE(ads)<-0.9 eV), depending on other relevant surface processes such as chemisorption and diffusion into the bulk. Partial reduction of surface Ce(4+) to Ce(3+) (together with formation of oxygen vacancies) alters geometrical parameters and, accordingly, leads to a shift in the vibrational frequencies of adsorbed oxygen species compared to those on unreduced CeO(2). Moreover, the location of oxygen vacancies affects the formation and subsequent dissociation of oxygen species on the surfaces. DFT predictions of the energetics support the experimental observation that the reduced surfaces are energetically more favorable than the unreduced surfaces for oxygen adsorption and reduction.Interactions between O(2) and CeO(2) are examined experimentally using in situ Raman spectroscopy and theoretically using density-functional slab-model calculations. Two distinct oxygen bands appear at 825 and 1131 cm(-1), corresponding to peroxo- and superoxo-like species, respectively, when partially reduced CeO(2) is exposed to 10 % O(2). Periodic density-functional theory (DFT) calculations aid the interpretation of spectroscopic observations and provide energetic and geometric information for the dioxygen species adsorbed on CeO(2). The O(2) adsorption energies on unreduced CeO(2) surfaces are endothermic (0.91<DeltaE(ads)<0.98 eV), while those on reduced surfaces are exothermic (-4. 0<DeltaE(ads)<-0.9 eV), depending on other relevant surface processes such as chemisorption and diffusion into the bulk. Partial reduction of surface Ce(4+) to Ce(3+) (together with formation of oxygen vacancies) alters geometrical parameters and, accordingly, leads to a shift in the vibrational frequencies of adsorbed oxygen species compared to those on unreduced CeO(2). Moreover, the location of oxygen vacancies affects the formation and subsequent dissociation of oxygen species on the surfaces. DFT predictions of the energetics support the experimental observation that the reduced surfaces are energetically more favorable than the unreduced surfaces for oxygen adsorption and reduction. Interactions between O(2) and CeO(2) are examined experimentally using in situ Raman spectroscopy and theoretically using density-functional slab-model calculations. Two distinct oxygen bands appear at 825 and 1131 cm(-1), corresponding to peroxo- and superoxo-like species, respectively, when partially reduced CeO(2) is exposed to 10 % O(2). Periodic density-functional theory (DFT) calculations aid the interpretation of spectroscopic observations and provide energetic and geometric information for the dioxygen species adsorbed on CeO(2). The O(2) adsorption energies on unreduced CeO(2) surfaces are endothermic (0.91<DeltaE(ads)<0.98 eV), while those on reduced surfaces are exothermic (-4. 0<DeltaE(ads)<-0.9 eV), depending on other relevant surface processes such as chemisorption and diffusion into the bulk. Partial reduction of surface Ce(4+) to Ce(3+) (together with formation of oxygen vacancies) alters geometrical parameters and, accordingly, leads to a shift in the vibrational frequencies of adsorbed oxygen species compared to those on unreduced CeO(2). Moreover, the location of oxygen vacancies affects the formation and subsequent dissociation of oxygen species on the surfaces. DFT predictions of the energetics support the experimental observation that the reduced surfaces are energetically more favorable than the unreduced surfaces for oxygen adsorption and reduction. |
| Author | Liu, Meilin Choi, Y. M. Abernathy, Harry Lin , M. C. Chen, Hsin-Tsung |
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| Keywords | Cerium Oxides Oxygen cerium In situ Surface chemistry Crystal face Characterization density-functional calculations Gas solid adsorption Raman specroscopy Density functional Adsorption Gas solid interface Calculation Raman spectrometry Lanthanide Compounds |
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| References | C. Xia, M. Liu, Solid State Ionics 2001, 144, 249 H. Inaba, H. Tagawa, Solid State Ionics 1996, 83, 1 R. M. Heck, R. J. Farrauto, Catalytic Air Pollution Control, Van Nostrand Reinhold, New York, 1995. R. M. Ferrizz, G. S. Wong, T. Egami, J. M. Vohs, Langmuir 2001, 17, 2464. C. Li, K. Domen, K.-i. Maruya, T. Onishi, J. Catal. 1990, 123, 436. S. Zha, A. Moore, H. Abernathy, M. Liu, J. Electrochem. Soc. 2004, 151, A1128 A. Siokou, R. M. Nix, J. Phys. Chem. B 1999, 103, 6984. N. V. Skorodumova, S. I. Simak, B. I. Lundqvist, I. A. Abrikosov, B. Johansson, Phys. Rev. Lett. 2002, 89, 166601. N. V. Skorodumova, M. Baudin, K. Hermansson, Phys. Rev. B 2004, 69, 075401 G. Herzberg, Molecular Spectra and Molecular Structure, Vol. I-Spectra of Diatomic Molecules, 2nd ed., Krieger, Malabar, 1950. M. A. Henderson, C. L. Perkins, M. H. Engelhard, S. Thevuthasan, C. H. F. Peden, Surf. Sci. 2003, 526, 1. N. Q. Minh, T. Takahashi, Science and Technology of Ceramic Fuel Cells, Elsevier, Amsterdam, 1995. G. Kresse, J. Hafner, Phys. Rev. B 1993, 47, 558. L. Y. Mo, X. M. Zheng, C. T. Yeh, ChemPhysChem 2005, 6, 1470. M. Liu, X. Lu, P. Faguy, Proc. Electrochem. Soc. 2003, 2003-7, 1132. A. Trovarelli, Catalysis by Ceria and Related Materials, Imperial College Press, London, 2000 V. V. Pushkarev, V. I. Kovalchuk, J. L. d′Itri, J. Phys. Chem. B 2004, 108, 5341. M. Haneda, T. Mizushima, N. Kakuta, J. Chem. Soc. Faraday Trans. 1995, 4459. P. Blochl, Phys. Rev. B 1994, 17, 953. G. Kresse, J. Furthmüller, Phys. Rev. B 1996, 54, 11169 A. Bielanski, J. Haber, Oxygen in catalysis, Marcel Dekker, New York, 1991. W. H. Weber, K. C. Hass, J. R. McBride, Phys. Rev. B 1993, 48, 178. E. A. Kummerle, G. Heger, J. Solid State Chem. 1999, 147, 485. Y. Zhang, Z. Kang, J. Dong, H. Abernathy, M. Liu, J. Solid State Chem. 2006, 179, 1733. C. Xia, M. Liu, Solid State Ionics 2002, 152, 423 L. Y. Mo, X. M. Zheng, C. T. Yeh, Chem. Commun. 2004, 12, 1426 S. Zha, W. Rauch, M. Liu, Solid State Ionics 2004, 166, 241. W. J. Hehre, L. Radom, P. v. R. Schleyer, J. A. Pople, Ab initio molecular orbital theory, Wiley, New York, 1986. G. Henkelman, A. Arnaldsson, H. Jonsson, Comput. Mater. Sci. 2006, 36, 354 S. Gennard, F. Cora, C. Richard, A. Catlow, J. Phys. Chem. B 1999, 103, 10158 F. Chen, S. Zha, J. Dong, M. Liu, Solid State Ionics 2004, 166, 269 C. Li, K. Domen, K.-i. Maruya, T. Onishi, J. Am. Chem. Soc. 1989, 111, 7683 Z. Yang, T. K. Woo, M. Baudin, K. Hermansson, J. Chem. Phys. 2004, 120, 7741. 2001; 144 1993; 48 2004; 166 1993; 47 2004; 120 2002; 152 2004; 69 2006; 36 1989; 111 1995 1950 1999; 103 1999; 147 2003; 2003‐7 1991 1990; 123 2004; 108 1996; 54 2006; 179 2003; 526 2000 2002; 89 2004; 151 2004; 12 1996; 83 1986 2005; 6 2001; 17 1994; 17 |
| References_xml | – reference: L. Y. Mo, X. M. Zheng, C. T. Yeh, ChemPhysChem 2005, 6, 1470. – reference: S. Zha, A. Moore, H. Abernathy, M. Liu, J. Electrochem. Soc. 2004, 151, A1128; – reference: E. A. Kummerle, G. Heger, J. Solid State Chem. 1999, 147, 485. – reference: G. Henkelman, A. Arnaldsson, H. Jonsson, Comput. Mater. Sci. 2006, 36, 354; – reference: C. Xia, M. Liu, Solid State Ionics 2002, 152, 423; – reference: C. Li, K. Domen, K.-i. Maruya, T. Onishi, J. Am. Chem. Soc. 1989, 111, 7683; – reference: A. Bielanski, J. Haber, Oxygen in catalysis, Marcel Dekker, New York, 1991. – reference: F. Chen, S. Zha, J. Dong, M. Liu, Solid State Ionics 2004, 166, 269; – reference: M. A. Henderson, C. L. Perkins, M. H. Engelhard, S. Thevuthasan, C. H. F. Peden, Surf. Sci. 2003, 526, 1. – reference: Z. Yang, T. K. Woo, M. Baudin, K. Hermansson, J. Chem. Phys. 2004, 120, 7741. – reference: M. Liu, X. Lu, P. Faguy, Proc. Electrochem. Soc. 2003, 2003-7, 1132. – reference: G. Kresse, J. Hafner, Phys. Rev. B 1993, 47, 558. – reference: P. Blochl, Phys. Rev. B 1994, 17, 953. – reference: R. M. Ferrizz, G. S. Wong, T. Egami, J. M. Vohs, Langmuir 2001, 17, 2464. – reference: S. Zha, W. Rauch, M. Liu, Solid State Ionics 2004, 166, 241. – reference: N. Q. Minh, T. Takahashi, Science and Technology of Ceramic Fuel Cells, Elsevier, Amsterdam, 1995. – reference: H. Inaba, H. Tagawa, Solid State Ionics 1996, 83, 1; – reference: W. J. Hehre, L. Radom, P. v. R. Schleyer, J. A. Pople, Ab initio molecular orbital theory, Wiley, New York, 1986. – reference: S. Gennard, F. Cora, C. Richard, A. Catlow, J. Phys. Chem. B 1999, 103, 10158; – reference: Y. Zhang, Z. Kang, J. Dong, H. Abernathy, M. Liu, J. Solid State Chem. 2006, 179, 1733. – reference: N. V. Skorodumova, M. Baudin, K. Hermansson, Phys. Rev. B 2004, 69, 075401; – reference: A. Trovarelli, Catalysis by Ceria and Related Materials, Imperial College Press, London, 2000; – reference: N. V. Skorodumova, S. I. Simak, B. I. Lundqvist, I. A. Abrikosov, B. Johansson, Phys. Rev. Lett. 2002, 89, 166601. – reference: G. Herzberg, Molecular Spectra and Molecular Structure, Vol. I-Spectra of Diatomic Molecules, 2nd ed., Krieger, Malabar, 1950. – reference: G. Kresse, J. Furthmüller, Phys. Rev. B 1996, 54, 11169; – reference: C. Li, K. Domen, K.-i. Maruya, T. Onishi, J. Catal. 1990, 123, 436. – reference: V. V. Pushkarev, V. I. Kovalchuk, J. L. d′Itri, J. Phys. Chem. B 2004, 108, 5341. – reference: C. Xia, M. Liu, Solid State Ionics 2001, 144, 249; – reference: W. H. Weber, K. C. Hass, J. R. McBride, Phys. Rev. B 1993, 48, 178. – reference: R. M. Heck, R. J. Farrauto, Catalytic Air Pollution Control, Van Nostrand Reinhold, New York, 1995. – reference: L. Y. Mo, X. M. Zheng, C. T. Yeh, Chem. Commun. 2004, 12, 1426; – reference: A. Siokou, R. M. Nix, J. Phys. Chem. B 1999, 103, 6984. – reference: M. Haneda, T. Mizushima, N. Kakuta, J. Chem. Soc. Faraday Trans. 1995, 4459. – volume: 108 start-page: 5341 year: 2004 publication-title: J. Phys. Chem. B – volume: 17 start-page: 953 year: 1994 publication-title: Phys. Rev. B – volume: 12 start-page: 1426 year: 2004 publication-title: Chem. Commun. – volume: 166 start-page: 269 year: 2004 publication-title: Solid State Ionics – volume: 526 start-page: 1 year: 2003 publication-title: Surf. Sci. – volume: 6 start-page: 1470 year: 2005 publication-title: ChemPhysChem – volume: 147 start-page: 485 year: 1999 publication-title: J. Solid State Chem. – year: 2000 – volume: 120 start-page: 7741 year: 2004 publication-title: J. Chem. Phys. – volume: 151 start-page: 1128 year: 2004 publication-title: J. Electrochem. Soc. – volume: 144 start-page: 249 year: 2001 publication-title: Solid State Ionics – year: 1950 – volume: 48 start-page: 178 year: 1993 publication-title: Phys. Rev. B – volume: 47 start-page: 558 year: 1993 publication-title: Phys. Rev. B – volume: 2003‐7 start-page: 1132 year: 2003 publication-title: Proc. Electrochem. Soc. – volume: 123 start-page: 436 year: 1990 publication-title: J. Catal. – volume: 69 start-page: 075401 year: 2004 publication-title: Phys. Rev. B – volume: 111 start-page: 7683 year: 1989 publication-title: J. Am. Chem. Soc. – year: 1986 – volume: 89 start-page: 166601 year: 2002 publication-title: Phys. Rev. Lett. – volume: 179 start-page: 1733 year: 2006 publication-title: J. Solid State Chem. – start-page: 4459 year: 1995 publication-title: J. Chem. Soc. Faraday Trans. – volume: 103 start-page: 6984 year: 1999 publication-title: J. Phys. Chem. B – volume: 83 start-page: 1 year: 1996 publication-title: Solid State Ionics – volume: 152 start-page: 423 year: 2002 publication-title: Solid State Ionics – volume: 17 start-page: 2464 year: 2001 publication-title: Langmuir – volume: 103 start-page: 10158 year: 1999 publication-title: J. Phys. Chem. B – year: 1995 – volume: 54 start-page: 11169 year: 1996 publication-title: Phys. Rev. B – year: 1991 – volume: 36 start-page: 354 year: 2006 publication-title: Comput. Mater. Sci. – volume: 166 start-page: 241 year: 2004 publication-title: Solid State Ionics |
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| Snippet | Interactions between O2 and CeO2 are examined experimentally using in situ Raman spectroscopy and theoretically using density‐functional slab‐model... Interactions between O(2) and CeO(2) are examined experimentally using in situ Raman spectroscopy and theoretically using density-functional slab-model... |
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| SubjectTerms | adsorption cerium Chemistry density-functional calculations Exact sciences and technology General and physical chemistry Raman spectroscopy Solid-gas interface surface chemistry Surface physical chemistry |
| Title | Characterization of O2-CeO2 Interactions Using In Situ Raman Spectroscopy and First-Principle Calculations |
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