CO2 adsorption on H2O-saturated BaO(1 0 0) and induced barium surface dissociation

Bulletin of the Korean Chemical Society

Volumn 36, Issue 1, 2015, Pages 11-16

  Kwon, Soonchul ^a,e   Lee, Seung Geol ^b,e   Chung, Eunhyea ^c   Lee, Wang Ro ^d  

^a Georgia Institute of Technology   (United States)

^b Pusan National University   (South Korea)

^c Seoul National University   (South Korea)

^d Chonbuk National University   (South Korea)

^e Samsung Advanced Institute of Technology (SAIT)   (South Korea)

Author keywords

Adsorption; Barium oxide; Carbon dioxide; Density functional theory; Water

Indexed keywords

ADSORPTION; AGGLOMERATION; BARIUM; DENSITY FUNCTIONAL THEORY; DISSOCIATION; MOLECULES; MONOLAYERS; SURFACE DEFECTS; WATER;

BARIUM CARBONATE; BARIUM HYDROXIDE; BARIUM OXIDES; DISSOCIATIVE ADSORPTION; HYDROGEN-TERMINATED SURFACES; HYDROXYL ION; MULTIPLE LAYERS;

CARBON DIOXIDE;

EID: 84921913643     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.1002/bkcs.10000     Document Type: Article

References (26)

1. International Energy Agency (IEA), CO2 emissions from fuel combustion, International Energy Agency: Paris, France, 2013.
2. M. G. Plaza, C. Pevida, A. Arenillas, F. Rubiera, J. Pis, J. Fuel 2007, 86, 2204.
3. A. Meisen, X. S. Shuai, Energy Convers. Manage. 1997, 38, S37.
4. R. H. Niswander, D. J. Edwards, M. S. Dupart, J. P. Tse, Sep. Sci. Technol. 1993, 28, 565.
5. A. Veawab, P. Tontiwachwuthikul, A. Chakma, Ind. Eng. Chem. Res. 1999, 38, 3917.
6. H. Gronbeck, J. Phys. Chem. B 2006, 110, 11977.
7. W. F. Schneider, J. Phys. Chem. B 2004, 108, 273.
8. M. Tutuianu, O. R. Inderwildi, W. G. Bessler, J. Warnatz, J. Phys. Chem. B 2006, 110, 17484.
9. P. Broqvist, I. Panas, H. Gronbeck, J. Phys. Chem. B 2005, 109, 15410.
10. H. J. Freund, M. W. Roberts, Surf. Sci. Rep. 1996, 25, 225.
11. P. Broqvist, H. Gronbeck, E. Fridell, I. Panas, J. Phys. Chem. B 2004, 108, 3523.
12. E. J. Karlsen, M. A. Nygren, L. G. M. Pettersson, J. Phys. Chem. B 2003, 107, 7795.
13. P. Broqvist, I. Panas, E. Fridell, H. Persson, J. Phys. Chem. B 2002, 106, 137.
14. S. Kwon, J. I. Choi, S. G. Lee, S. S. Jang, Comput. Mater. Sci. 2014, 95, 181.
15. B. K. Na, K. K. Koo, H. M. Eum, H. Lee, H. K. Song, J. Korean, Chem. Eng. 2001, 18, 220.
16. G. Li, P. Xiao, P. Webley, J. Zhang, R. Singh, M. Marshall, Adsorption 2008, 14, 415.
17. S. G. Lee, J. I. Choi, W. Koh, S. S. Jang, Appl. Clay Sci. 2013, 71, 73.
18. B. Delley, J. Chem. Phys., 2000, 113, 7756.
19. J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865.
20. R. S. Mulliken, J. Chem. Phys. 1955, 23, 2338.
21. S. Kwon, J. Hwang, H. Lee, W. R. Lee, Bull. Korean Chem. Soc. 2010, 31, 2219.
22. S. Kwon, W. R. Lee, H. Lee, J. Kim, H. Lee, Bull. Korean Chem. Soc. 2011, 32, 988.
23. R. W. G. Wyckoff, Crystal Structure, Vol. 1, Interscience Publishers (John Wiley), New York, 1965.
24. G. Pacchioni, J. M. Ricart, F. Illas, J. Am. Chem. Soc. 1994, 116, 10152.
25. Y. Yanagisawa, K. Takaoka, S. Yamabe, J. Chem. Soc. Faraday Trans. 1994, 90, 2561.
26. M. Odelius, Phys. Rev. Lett. 1999, 82, 3919.