An atomistic thermodynamics study of the structural evolution of the Pt3Ni(111) surface in an oxygen environment

Cuihua Xuebao/Chinese Journal of Catalysis

Volumn 34, Issue 7, 2013, Pages 1434-1442

  Sun, Dapeng ^a   Zhao, Yonghui ^a   Su, Haiyan ^a   Li, Weixue ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

Ab initio calculation; Oxygen; Phase diagram; Segregation

Indexed keywords

ATOMISTIC THERMODYNAMICS; BIMETALLIC SURFACES; BONDING STRENGTH; CHEMISORBED OXYGEN; OXIDIZING CONDITIONS; OXYGEN SEGREGATION; STRUCTURAL EVOLUTION; THERMODYNAMICALLY STABLE;

CALCULATIONS; CHEMICAL POTENTIAL; CHEMISORPTION; NICKEL; PHASE DIAGRAMS; PLATINUM; THERMODYNAMICS;

OXYGEN;

EID: 84881430341     PISSN: 02539837     EISSN: None     Source Type: Journal    
DOI: 10.1016/s1872-2067(12)60604-4     Document Type: Article

References (32)

1. Shao Y Y, Yin G P, Gao Y Z. J Power Sources, 2007, 171: 558
2. Ferrando R, Jellinek J, Johnston R L. Chem Rev, 2008, 108: 845
3. Antolini E, Lopes T, Gonzalez E R. J Alloys Compd, 2008, 461: 253
4. Peng Z M, Yang H. Nano Today, 2009, 4: 143
5. Wang D S, Li Y D. Adv Mater, 2011, 23: 1044
6. Fu Q, Li W X, Yao Y X, Liu H Y, Su H Y, Ma D, Gu X K, Chen L M, Wang Z, Zhang H, Wang B, Bao X H. Science, 2010, 328: 1141
7. Sun D P, Gu X K, Ouyang R H, Su H Y, Fu Q, Bao X H, Li W X. J Phys Chem C, 2012, 116: 7491
8. Su H Y, Bao X H, Li W X. J Chem Phys, 2008, 128: 194707
9. Ma X F, Deng H Q, Yang M M, Li W X. J Chem Phys, 2008, 129: 244711
10. Ma X F, Su H Y, Deng H Q, Li W X. Catal Today, 2011, 160: 228
11. Knudsen J, Nilekar A U, Vang R T, Schnadt J, Kunkes E L, Dumesic J A, Mavrikakis M, Besenbacher F. J Am Chem Soc, 2007, 129: 6485
12. Marković N M, Ross P N Jr. Surf Sci Rep, 2002, 45: 117
13. Stamenkovic V, Mun B S, Mayrhofer K J J, Ross P N, Markovic N M, Rossmeisl J, Greeley J, Norskov J K. Angew Chem, Int Ed, 2006, 45: 2897
14. Greeley J, Jaramillo T F, Bonde J, Chorkendorff I, Norskov J K. Nat Mater, 2006, 5: 909
15. Chen S, Ferreira P J, Sheng W C, Yabuuchi N, Allard L F, Shao-Horn Y. J Am Chem Soc, 2008, 130: 13818
16. Skoplyak O, Menning C A, Barteau M A, Chen J G. Top Catal, 2008, 51: 49
17. Chen J G, Menning C A, Zellner M B. Surf Sci Rep, 2008, 63: 201
18. Stamenkovic V R, Fowler B, Mun B S, Wang G, Ross P N, Lucas C A, Markovic N M. Science, 2007, 315: 493
19. Mu R T, Fu Q, Xu H, Zhang H, Huang Y Y, Jiang Z, Zhang S, Tan D L, Bao X H. J Am Chem Soc, 2011, 133: 1978
20. Mu R T, Fu Q, Liu H Y, Tan D L, Zhai R S, Bao X H. Appl Surf Sci, 2009, 255: 7296
21. Mu R T, Guo X G, Fu Q, Bao X H. J Phys Chem C, 2011, 115: 20590
22. Zafeiratos S, Piccinin S, Teschner D. Catal Sci Technol, 2012, 2: 1787
23. Kitchin J R, Reuter K, Scheffler M. Phys Rev B, 2008, 77: 075437
24. Reuter K, Scheffler M. Phys Rev B, 2003, 68: 045407
25. Li W-X, Stampfl C, Scheffler M. Phys Rev Lett, 2003, 90: 256102
26. Kresse G, Hafner J. Phys Rev B, 1993, 48: 13115
27. Kresse G, Furthmuller J. Phys Rev B, 1996, 54: 11169
28. Bloechl P E. Phys Rev B, 1994, 50: 17953
29. Kresse G, Joubert D. Phys Rev B, 1999, 59: 1758
30. Perdew J P, Chevary J A, Vosko S H, Jackson K A, Pederson M R, Singh D J, Fiolhais C. Phys Rev B, 1992, 46: 6671
31. Ma Y, Balbuena P B. Surf Sci, 2008, 602: 107
32. Su H Y, Gu X K, Ma X F, Zhao Y H, Bao X H, Li W X. Catal Today, 2011, 165: 89