Ab initio study of the adsorption of CO on a Zn4O4 cluster

Acta Chimica Sinica

Volumn 60, Issue 4, 2002, Pages 639-642

  Shi, Shou Heng ^a   Shi, Chuan ^a   Yu, Jia You ^a   Gao, Tie Han ^a   Wang, Meng Lin ^a   Wang, Shao Jun ^a   Zhang, Shao Yin ^a   Dai, Hong Yi ^a  

^a Dalian College of Light Industry   (China)

Author keywords

Ab initio calculation; Adsorption states; CO; Crystal surface of ZnO

Indexed keywords

EID: 4744367644     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (15)

1. Genger, T.; Hinfirchsen, O.; Muhler, M. Catal. Lett. 1999, 59, 137.
2. Askgaad, T. S.; Norskvo, J. K.; Ovesen, C. V.; Stoltz, P. J. Catal. 1995, 156, 229.
3. Hoevel, S.; Kolczewski, C.; Wuehn, M.; Albers, J.; Weiss, K.; Staemmler, V.; Woell, C. J. Chem. Phys. 2000, 112(8), 3909.
4. Becker, T.; Kunat, M.; Boas, C.; Burghaus, U.; Wqell, C. J. Chem. Phys. 2000, 113(15), 6334.
5. Solomon, E. I.; Jones, P. M.; May, J. A. Chem. Rev. 1993, 93, 2623.
6. Jaffe, J. E.; Hess, A. C. J. Chem. Phys. 1996, 104 (9), 3348.
7. Shi, S.-H.; Staemmler V. Phys. Rev. 1996, 52(16), 12345.
8. Shi, S.-L. Chem. Res. Chin. Univ. 1995, 16(10), 1602.
9. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
10. Duke, C.; Lubinsky, A. R. Surf. Sci. 1975, 50, 605.
11. Chang, S.-C.; Mark, P. Surf. Sci. 1974, 46, 293.
12. Meier, U.; Staemmler V. Theor. Chim. Acta 1989, 76, 95.
13. Wasilewski, J. Int. J. Quantum Chem. 1989, 36, 503.
14. Fink, R.; Staemmler, V. Theor. Chem. Acta 1993, 87, 129.
15. Sayers, M. J.; McClellen, M. R.; Gay, R. R.; Solomon, E. I.; McFeely, F. R. Chem. Phys. Lett. 1980, 75, 575.