Density functional theory study of carbon dioxide electrochemical reduction on the Fe(100) surface

Physical Chemistry Chemical Physics

Volumn 16, Issue 27, 2014, Pages 13708-13717

  Bernstein, Nicole J ^a   Akhade, Sneha A ^a   Janik, Michael J ^a  

^a The Pennsylvania State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84902676910     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c4cp00266k     Document Type: Article

References (52)

1. M. Jitaru J. Univ. Chem. Technol. Metall. 2007 42 333 344
2. M. Jitaru D. Lowy M. Toma B. Toma L. Oniciu J. Appl. Electrochem. 1997 27 875 889
3. Y. Hori, Modern Aspects of Electrochemistry, Springer, 2008, pp. 89-189
4. Y. Hori H. Wakebe T. Tsukamoto O. Koga Electrochim. Acta 1994 39 1833 1839
5. 2 Conversion and Utilization, American Chemical Society, 2010, vol. 1056, pp. 55-76
6. K. P. Kuhl E. R. Cave D. N. Abram T. F. Jaramillo Energy Environ. Sci. 2012 5 7050 7059
7. S. Ishimaru R. Shiratsuchi G. Nogami J. Electrochem. Soc. 2000 147 1864 1867
8. J. Christophe T. Doneux C. Buess-Herman Electrocatalysis 2012 3 139 146
9. A. S. Varela C. Schlaup Z. P. Jovanov P. Malacrida S. Horch I. E. Stephens I. Chorkendorff J. Phys. Chem. C 2013 117 20500 20508
10. Y. Hori A. Murata R. Takahashi J. Chem. Soc., Faraday Trans. 1 1989 85 2309 2326
11. T. Riedel M. Claeys H. Schulz G. Schaub S.-S. Nam K.-W. Jun M.-J. Choi G. Kishan K.-W. Lee Appl. Catal., A 1999 186 201 213
12. H. Schulz M. Claeys Stud. Surf. Sci. Catal. 1994 81 455 460
13. T. Riedel H. Schulz G. Schaub K.-W. Jun J.-S. Hwang K.-W. Lee Top. Catal. 2003 26 41 54
14. S. Krishnamoorthy A. Li E. Iglesia Catal. Lett. 2002 80 77 86
15. M. E. Dry Catal. Today 2002 71 227 241
16. J. Niemantsverdriet A. Van der Kraan W. Van Dijk H. Van der Baan J. Phys. Chem. 1980 84 3363 3370
17. J. Amelse L. Schwartz J. Butt J. Catal. 1981 72 95 110
18. Y. Hori, in Handbook of Fuel Cells: Fundamentals, Technology and Applications, ed., W. Vielstich, A. Lamm, and, H. A. Gasteiger, Wiley-VHC, 2003, vol. 2, pp. 720-733
19. K. Hara A. Kudo T. Sakata J. Electroanal. Chem. 1995 386 257 260
20. A. Murata Y. Hori Denki Kagaku 1991 59 499
21. Y. Hori A. Murata R. Takahashi S. Suzuki Chem. Lett. 1987 1665 1668
22. Y. Hori A. Murata Y. Yoshinami J. Chem. Soc., Faraday Trans. 1991 87 125 128
23. Y. Hori A. Murata Electrochim. Acta 1990 35 1777 1780
24. R. W. Dorner D. R. Hardy F. W. Williams H. D. Willauer Energy Environ. Sci. 2010 3 884 890
25. M. E. Dry Catal. Lett. 1990 7 241 251
26. 2 Utilization 2013 3-4 102 106
27. R. W. Dorner D. R. Hardy F. W. Williams H. D. Willauer Appl. Catal., A 2010 373 112 121
28. X. Nie M. R. Esopi M. J. Janik A. Asthagiri Angew. Chem., Int. Ed. 2013 52 2459 2462
29. A. A. Peterson J. K. Nørskov J. Phys. Chem. Lett. 2012 3 251 258
30. C. Wang B. Klein H. Krakauer Phys. Rev. Lett. 1985 54 1852
31. M. J. S. Spencer A. Hung I. K. Snook I. Yarovsky Surf. Sci. 2002 513 389 398
32. G. Kresse J. Furthmüller Phys. Rev. B: Condens. Matter Mater. Phys. 1996 54 169
33. G. Kresse Phys. Rev. B: Condens. Matter Mater. Phys. 1996 54 11,169
34. G. Kresse J. Hafner Phys. Rev. B: Condens. Matter Mater. Phys. 1993 47 558
35. G. Kresse J. Hafner Phys. Rev. B: Condens. Matter Mater. Phys. 1994 49 14251
36. P. E. Blöchl Phys. Rev. B: Condens. Matter Mater. Phys. 1994 50 17953
37. G. Kresse D. Joubert Phys. Rev. B: Condens. Matter Mater. Phys. 1999 59 1758
38. J. P. Perdew K. Burke M. Ernzerhof Phys. Rev. Lett. 1996 77 3865
39. J. P. Perdew K. Burke M. Ernzerhof Phys. Rev. Lett. 1997 78 1396
40. H. J. Monkhorst J. D. Pack Phys. Rev. B: Solid State 1976 13 5188 5192
41. E. de Smit F. Cinquini A. M. Beale O. V. Safonova W. van Beek P. Sautet B. M. Weckhuysen J. Am. Chem. Soc. 2010 132 14928 14941
42. D. Fruchart P. Chaudouet R. Fruchart A. Rouault J. P. Senateur J. Solid State Chem. 1984 51 246 252
43. J. J. Retief Powder Diffr. 1999 14 130 132
44. F. H. Herbstein J. A. Snyman Inorg. Chem. 1964 3 894 896
45. J. K. Nørskov J. Rossmeisl A. Logadottir L. Lindqvist J. R. Kitchin T. Bligaard H. Jonsson J. Phys. Chem. B 2004 108 17886 17892
46. L. Pauling, The Nature of the Chemical Bond and the Structure of Molecules and Crystals: An Introduction to Modern Structural Chemistry, Cornell University Press, 1960
47. A. Stibor, CO Adsorption on Iron Surfaces: An Ab-initio Density-Functional Study, Master's thesis, Universität Wien, Vienna, 2001
48. A. Govender D. Curulla Ferré J. W. Niemantsverdriet ChemPhysChem 2012 13 1591 1596
49. B. E. Conway L. Bai J. Chem. Soc., Faraday Trans. 1 1985 81 1841 1862
50. A. Peremans A. Tadjeddine Phys. Rev. Lett. 1994 73 3010
51. G. Le Caër J. Dubois M. Pijolat V. Perrichon P. Bussiere J. Phys. Chem. 1982 86 4799 4808
52. J. M. Gracia F. F. Prinsloo J. Niemantsverdriet Catal. Lett. 2009 133 257 261