Studies on the behavior of mixed-metal oxides: Adsorption of CO and NO on MgO(100), NixMg1-xO(100), and CrxMg1-xO(100)

Journal of Chemical Physics

Volumn 114, Issue 9, 2001, Pages 4186-4195

  Rodriguez, J A ^a   Jirsak, T ^a   Perez M ^b   Gonzalez L ^b   Maiti, A ^c  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

^b FACULTAD DE CIENCIAS   (Venezuela)

^c ACCELRYS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CATALYSTS; CHROMIUM COMPOUNDS; CORRELATION THEORY; DESORPTION; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; GAS ADSORPTION; NICKEL COMPOUNDS; PHOTOELECTRON SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; ULTRAVIOLET SPECTROSCOPY;

MIXED METAL OXIDES; THERMAL DESORPTION MASS SPECTROSCOPY (TDS); ULTRAVIOLET PHOTOELECTRON SPECTROSCOPY (UPS);

MAGNESIA;

EID: 0035280508     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1345496     Document Type: Article

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114. H. Onishi, C. Egawa, T. Aruga, and Y. Iwasawa, Surf. Sci. 191, 479 (1987).
115. J. Günster, G. Liu, V. Kempter, and D. W. Goodman, Surf. Sci. 415, 303 (1998).
116. R. Wichtendahl, M. Rodriguez-Rodrigo, U. Härtel, H. Kuhlenbeck, and H.-J. Freund, Phys. Status Solidi A 173, 93 (1999).
117. J.-W. He, C. A. Estrada, J. S. Corneille, M.-C. Wu, and D. W. Goodman, Surf. Sci. 261, 164 (1992);
118. A. Kolmakov, J. Stultz, and D. W. Goodman, J. Chem. Phys. (in press).
119. P. A. Redhead, Vacuum 12, 203 (1962).
120. -1 and a heating rate of 2 K/s.
121. H. Öfner and F. Zaera, J. Phys. Chem. B 101, 9069 (1997).
122. R. Soave and G. Pacchioni, Chem. Phys. Lett. 320, 345 (2000).
123. J. A. Snyder, D. R. Alfonso, J. E. Jaffe, Z. Lin, A. C. Hess, and M. Gutowski, J. Phys. Chem. B 104, 4717 (2000).
124. J.-Y. Kim and J. Z. Larese (unpublished).
125. C. Xu, M. Hassel, H. Kuhlenbeck, and H.-J. Freund, Surf. Sci. 258, 23 (1991).
126. J. A. Rodriguez, T. Jirsak, M. Pérez, S. Chaturvedi, M. Kuhn, L. González, and A. Maiti, J. Am. Chem. Soc. 122, 12362 (2000).
127. J. A. Rodriguez, T. Jirsak, and S. Chaturvedi, J. Chem. Phys. 111, 8077 (1999);
128. J. A. Rodriguez, S. Chaturvedi, M. Kuhn, and J. Hrbek, J. Phys. Chem. B 102, 5511 (1998);
129. J. A. Rodriguez, S. Chaturvedi, and M. Kuhn, Surf. Sci. 415, L1065 (1998).
130. E. Shustorovich and R. C. Baetzold, Science 227, 876 (1985).
131. B. Hammer, Y. Morikawa, and J. K. Nørskov, Phys. Rev. Lett. 76, 2141 (1996);
132. B. Hammer and J. K. Nerskov, Adv. Catal. (in press).
133. R. Hoffmann, Solids and Surfaces: A Chemist's View of Bonding in Extended Structures (VCH, New York, 1988);
134. L. Libit and R. Hoffmann, J. Am. Chem. Soc. 96, 1370 (1974).
135. E. Lindholm and J. Li, J. Phys. Chem. 92, 1731 (1988).
136. G. Pacchioni, A. Clotet, and J. M. Ricart, Surf. Sci. 315, 337 (1994).
137. 0.95O(100) at 80 K, the Zn-bonded CO molecules desorbed at ∼160 K in TDS. Following a Redhead analysis (see Refs. 42 and 43) one gets a CO adsorption energy of ∼9 kcal/mol for Zn-bonded CO. This is much smaller than the adsorption energy of ∼15 kcal/mol found for Cr-bonded CO (Sec. III A).