Density functional theory study on the mechanism for enhanced activity of PdxNi/C catalysts

Cuihua Xuebao / Chinese Journal of Catalysis

Volumn 30, Issue 5, 2009, Pages 433-439

  Wang, Liang ^a   Wang, Yi ^a   Song, Shuqin ^a   Shen, Peikang ^a  

^a SUN YAT SEN UNIVERSITY   (China)

Author keywords

Cluster model; Density functional theory; Fuel cell; Nickel; Oxygen reduction reaction; Palladium

Indexed keywords

EID: 67649446189     PISSN: 02539837     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (25)

1. Meng H, Shen P K, Wei Z D, Jiang S P. Electrochem Solid State Lett, 2006, 9: A368
2. Chen Y G, Zhuang L, Lu J T. Chin J Catal, 2007, 28: 870
3. Liu M, Wu Y X, Du Zh P, Yuan H, Ge J W. Chin J Catal, 2008, 29:489
4. Li X, Meng M, Liu Y, Luo J Y. Chin J Catal, 2007, 28: 835
5. Tarasevich M R, Bogdanovskaya V A, Kuznetsova L N, Modestov A D, Efremov B N, Chalykh A E, Chirkov Y G, Kapustina N A, Ehrenburg M R. J Appl Electorchem, 2007, 37: 1503
6. Song Sh Q, Wang Y, Tsiakaras P, Shen P K. Appl Catal B, 2008, 78: 381
7. Hohenberg P, Kohn W. Phys Rev B, 1964, 136: B864
8. Levy M. Proc Nat Acad Sci USA, 1979, 76: 6062
9. Kohn W, Sham L J. Phys Rev A, 1965, 140: 1133
10. Shen P K, Tian Zh Q. Electrochim Acta, 2004, 49: 3107
11. Kohn W, Becke A D, Parr R G. J Phys Chem, 1996, 100: 12974
12. Becke A D. J Chem Phys, 1993, 98: 5648
13. Lee C, Yang W, Parr R D. Phys Rev B, 1988, 37: 785
14. Perdew J P, Burke K, Ernzerhof M. Phys Rev Lett, 1996, 77: 3865
15. Herzberg G. In: Molecular Spectra and Molecular Structure. New York: Van Nostrand, 1979. 844
16. de Heer W A. Rev Mod Phys, 1993, 65: 611
17. Li J, Li X, Zhai H J, Wang L Sh. Science, 2003, 299: 864
18. Yoon B, Häkkinen H, Landman U, Wirz A S, Antonietti J M, Abbet S, Judaik, Heiz U. Science, 2005, 307: 403
19. Kim Y D, Fischer M, Gantefor G. Chem Phys Lett, 2003, 377: 170
20. Wallace W T, Whetten R L. J Am Chem Soc, 2002, 124: 7499
21. Parr R G, Yang W T. J Am Chem Soc, 1984, 106:4049
22. Yang W T, Parr R G. Proc Nat Acad Sci USA, 1985, 82: 6723
23. Gomez B, Likhanova N V, Domínguez Aguilar M A, Olivares O, Hallen J M, Martínez-Magadán J M. J Phys Chem A, 2005, 109: 8950
24. Li H Q, Sun G Q, Li N, Sun Sh G, Su D Sh, Xin Q. J Phys Chem C, 2007, 111: 5605
25. Burleigh M C, Markowitz M A, Spector M S, Gaber B P. J Phys Chem B, 2001, 105: 9935