Cation size mismatch and charge interactions drive dopant segregation at the surfaces of manganite perovskites

Journal of the American Chemical Society

Volumn 135, Issue 21, 2013, Pages 7909-7925

  Lee, Wonyoung ^a   Han, Jeong Woo ^a   Chen, Yan ^a   Cai, Zhuhua ^a   Yildiz, Bilge ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL ANALYSIS; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTROSTATIC ENERGIES; MANGANITE PEROVSKITES; PREDICTIVE CAPABILITIES; SURFACE CHEMICAL ANALYSIS; SURFACE CHEMICAL HETEROGENEITIES; X-RAY PHOTOELECTRONS;

AUGER ELECTRON SPECTROSCOPY; CALCIUM; CATHODES; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELASTICITY; ELECTROLYTIC REDUCTION; ELECTROSTATICS; EXPERIMENTS; OXYGEN; PEROVSKITE; POSITIVE IONS; SOLID OXIDE FUEL CELLS (SOFC); SURFACE CHEMISTRY; SURFACE STRUCTURE;

SURFACE SEGREGATION;

BARIUM; CALCIUM; CATION; LANTHANUM; MANGANITE; OXYGEN; PEROVSKITE; SAMARIUM; STRONTIUM; UNCLASSIFIED DRUG;

ARTICLE; AUGER ELECTRON SPECTROSCOPY; CHEMICAL COMPOSITION; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ELECTRODE; ENERGY RESOURCE; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULAR STABILITY; QUANTITATIVE ANALYSIS; SOLID OXIDE FUEL CELL; STATIC ELECTRICITY; SURFACE PROPERTY; TEMPERATURE; X RAY PHOTOELECTRON SPECTROSCOPY;

EID: 84878396603     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja3125349     Document Type: Article

References (112)

1. Cai, Z.; Kubicek, M.; Fleig, J.; Yildiz, B. Chem. Mater. 2012, 24, 1116-1127
2. Cai, Z.; Kuru, Y.; Han, J. W.; Chen, Y.; Yildiz, B. J. Am. Chem. Soc. 2011, 133, 17696-17704
3. Chen, Y.; Jung, W.; Cai, Z.; Kim, J. J.; Tuller, H. L.; Yildiz, B. Energy Environ. Sci. 2012, 5, 7979-7988
4. Crumlin, E. J.; Mutoro, E.; Ahn, S.-J.; la O', G. J.; Leonard, D. N.; Borisevich, A.; Biegalski, M. D.; Christen, H. M.; Shao-Horn, Y. J. Phys. Chem. Lett. 2010, 1, 3149-3155
5. Jiang, S. J. Solid State Electrochem. 2007, 11, 93-102
6. Jung, W.; Tuller, H. L. Energy Environ. Sci. 2012, 5, 5370-5378
7. Kubicek, M.; Limbeck, A.; Frömling, T.; Hutter, H.; Fleig, J. J. Electrochem. Soc. 2011, 158, B727-B734
8. Mutoro, E.; Crumlin, E. J.; Biegalski, M. D.; Christen, H. M.; Shao-Horn, Y. Energy Environ. Sci. 2011, 4, 3689-3696
9. Shin, T. H.; Ida, S.; Ishihara, T. J. Am. Chem. Soc. 2011, 133, 19399-19407
10. Tsai, C.-Y.; Dixon, A. G.; Ma, Y. H.; Moser, W. R.; Pascucci, M. R. J. Am. Ceram. Soc. 1998, 81, 1437-1444
11. Yang, L.; Tan, L.; Gu, X.; Jin, W.; Zhang, L.; Xu, N. Ind. Eng. Chem. Res. 2003, 42, 2299-2305
12. Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Chem. Mater. 2007, 19, 5131-5142
13. Yabuuchi, N.; Lu, Y.-C.; Mansour, A. N.; Chen, S.; Shao-Horn, Y. J. Electrochem. Soc. 2011, 158, A192-A200
14. Yoon, W.-S.; Paik, Y.; Yang, X.-Q.; Balasubramanian, M.; McBreen, J.; Grey, C. P. Electrochem. Solid-State Lett. 2002, 5, A263-A266
15. Lee, S. W.; Carlton, C.; Risch, M.; Surendranath, Y.; Chen, S.; Furutsuki, S.; Yamada, A.; Nocera, D. G.; Shao-Horn, Y. J. Am. Chem. Soc. 2012, 134, 16959-16962
16. Serrate, D.; De Teresa, J. M.; Blasco, J.; Ibarra, M. R.; Morellon, L.; Ritter, C. Appl. Phys. Lett. 2002, 80, 4573-4575
17. Rao, C. N. R.; Vanitha, P. V. Curr. Opin. Solid State Mater. Sci. 2002, 6, 97-106
18. Estrade, S.; Arbiol, J.; Peiro, F.; Infante, I. C.; Sanchez, F.; Fontcuberta, J.; de la Pena, F.; Walls, M.; Colliex, C. Appl. Phys. Lett. 2008, 93, 112505-3
19. Estrade, S.; Rebled, J. M.; Arbiol, J.; Peiro, F.; Infante, I. C.; Herranz, G.; Sanchez, F.; Fontcuberta, J.; Cordoba, R.; Mendis, B. G.; Bleloch, A. L. Appl. Phys. Lett. 2009, 95, 072507-3
20. Hamada, I.; Uozumi, A.; Morikawa, Y.; Yanase, A.; Katayama-Yoshida, H. J. Am. Chem. Soc. 2011, 133, 18506-18509
21. Stavale, F.; Shao, X.; Nilius, N.; Freund, H.-J.; Prada, S.; Giordano, L.; Pacchioni, G. J. Am. Chem. Soc. 2012, 134, 11380-11383
22. Arredondo, M.; Ramasse, Q. M.; Weyland, M.; Mahjoub, R.; Vrejoiu, I.; Hesse, D.; Browning, N. D.; Alexe, M.; Munroe, P.; Nagarajan, V. Adv. Mater. 2010, 22, 2430-2434
23. Miles, G. C.; Stennett, M. C.; Reaney, I. M.; West, A. R. J. Mater. Chem. 2005, 15, 798-802
24. Jiang, S. P. J. Solid State Electrochem. 2005, 11, 93-102
25. la O, G. J.; Ahn, S.-J.; Crumlin, E.; Orikasa, Y.; Biegalski, M. D.; Christen, H. M.; Shao-Horn, Y. Angew. Chem., Int. Ed. 2010, 49, 5344-5347
26. Brandon, N. P.; Skinner, S.; Steele, B. C. H. Ann. Rev. Mater. Res. 2003, 33, 183-213
27. Chueh, W. C.; Haile, S. M. Annu. Rev. Chem. Bio. Eng. 2012, 3, 313-341
28. Adler, S. B. Chem. Rev. 2004, 104, 4791-4844
29. Shao, Z.; Haile, S. M. Nature 2004, 431, 170-173
30. Jalili, H.; Han, J. W.; Kuru, Y.; Cai, Z.; Yildiz, B. J. Phys. Chem. Lett. 2011, 2, 801-807
31. Fister, T. T.; Fong, D. D.; Eastman, J. A.; Baldo, P. M.; Highland, M. J.; Fuoss, P. H.; Balasubramaniam, K. R.; Meador, J. C.; Salvador, P. A. Appl. Phys. Lett. 2008, 93, 151904-3
32. Dulli, H.; Dowben, P. A.; Liou, S. H.; Plummer, E. W. Phys. Rev. B 2000, 62, R14629-R14632
33. Katsiev, K.; Yildiz, B.; Balasubramaniam, K.; Salvador, P. A. Appl. Phys. Lett. 2009, 95, 092106-3
34. Wang, W.; Jiang, S. P. Solid State Ionics 2006, 177, 1361-1369
35. Szot, K.; Speier, W. Phys. Rev. B 1999, 60, 5909-5926
36. Liang, Y.; Bonnell, D. A. Surf. Sci. 1994, 310, 128-134
37. Han, J. W.; Kitchin, J. R.; Sholl, D. S. J. Chem. Phys. 2009, 130, 124710-8
38. Lussier, A.; Dvorak, J.; Stadler, S.; Holroyd, J.; Liberati, M.; Arenholz, E.; Ogale, S. B.; Wu, T.; Venkatesan, T.; Idzerda, Y. U. Thin Solid Films 2008, 516, 880-884
39. Lee, J.-R.; Chiang, Y.-M. Solid State Ionics 1995, 75, 79-88
40. Battaile, C. C.; Najafabadi, R.; Srolovitz, D. J. J. Am. Ceram. Soc. 1995, 78, 3195-3200
41. Wynblatt, P.; Rohrer, G. S.; Papillon, F. J. Eur. Ceram. Soc. 2003, 23, 2841-2848
42. Guo, X. Solid State Ionics 1995, 81, 235-242
43. Cockroft, N. J.; Lee, S. H.; Wright, J. C. Phys. Rev. B 1991, 44, 4117-4126
44. Lee, H. B.; Prinz, F. B.; Cai, W. Acta Mater. 2010, 58, 2197-2206
45. van der Heide, P. A. W.; Rabalais, J. W. Chem. Phys. Lett. 1998, 297, 350-356
46. Lee, W.; Jung, H. J.; Lee, M. H.; Kim, Y.-B.; Park, J. S.; Sinclair, R.; Prinz, F. B. Adv. Funct. Mater. 2012, 22, 965-971
47. Estrade, S.; Arbiol, J.; Peiro, F.; Abad, L.; Laukhin, V.; Balcells, L.; Martinez, B. Appl. Phys. Lett. 2007, 91, 252503-3
48. Kilner, J. A. Chem. Lett. 2008, 37, 1012-1015
49. Harrison, W. A. Phys. Rev. B 2011, 83, 155437
50. Horvath, G.; Gerblinger, J.; Meixner, H.; Giber, J. Sens. Actuators, B 1996, 32, 93-99
51. Martin, M. J. Kor. Ceram. Soc. 2012, 49, 29-36
52. Shannon, R. Acta Crystallogr., Sect. A 1976, 32, 751-767
53. D'Souza, C. M.; Sammes, N. M. J. Am. Ceram. Soc. 2000, 83, 47-52
54. NIST Database 82; U.S. Department of Commerce: Washington, DC, 2001, accessed in 2011/2012.
55. Kresse, G.; Furthmüller, J. Phys. Rev. B 1996, 54, 11169-11186
56. 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, 6671-6687
57. Blöchl, P. E. Phys. Rev. B 1994, 50, 17953
58. Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.; Humphreys, C. J.; Sutton, A. P. Phys. Rev. B 1998, 57, 1505
59. Wang, L.; Maxisch, T.; Ceder, G. Phys. Rev. B 2006, 73, 195107
60. Han, J. W.; Jalili, H.; Kuru, Y.; Cai, Z.; Yildiz, B. ECS Trans. 2011, 35, 2097-2104
61. Friedel, J. Adv. Phys. 1954, 3, 446-507
62. Le Page, Y.; Saxe, P. Phys. Rev. B 2002, 65, 104104
63. Lee, Y.-L.; Morgan, D. ECS Trans. 2009, 25, 2769-2774
64. Kuru, Y.; Marrocchelli, D.; Bishop, S. R.; Chen, D.; Yildiz, B.; Tuller, H. L. J. Electrochem. Soc. 2012, 159, F799-F803
65. Kushima, A.; Yip, S.; Yildiz, B. Phys. Rev. B 2010, 82, 115435
66. De Souza, R. A.; Martin, M. Phys. Chem. Chem. Phys. 2008, 10, 2356-2367
67. Wang, R.-V.; McIntyre, P. C. J. Appl. Phys. 2005, 97, 023508-8
68. Lu, H.; George, T. A.; Wang, Y.; Ketsman, I.; Burton, J. D.; Bark, C. W.; Ryu, S.; Kim, D. J.; Wang, J.; Binek, C.; Dowben, P. A.; Sokolov, A.; Eom, C. B.; Tsymbal, E. Y.; Gruverman, A. Appl. Phys. Lett. 2012, 100, 232904-5
69. Picozzi, S.; Ma, C.; Yang, Z.; Bertacco, R.; Cantoni, M.; Cattoni, A.; Petti, D.; Brivio, S.; Ciccacci, F. Phys. Rev. B 2007, 75, 094418
70. Islam, M. S.; Cherry, M.; Catlow, C. R. A. J. Solid State Chem. 1996, 124, 230-237
71. Kovaleva, N.; Gavartin, J.; Shluger, A.; Boris, A.; Stoneham, A. J. Exp. Theor. Phys. 2002, 94, 178-190
72. Onufriev, A. The generalized Born model: its foundation, applications, and limitations U.S. DOE: Washington, DC 2010, http://www.osti.gov/eprints/ topicpages/documents/record/705/1923591.html, accessed in 2013.
73. Mizusaki, J.; Mima, Y.; Yamauchi, S.; Fueki, K.; Tagawa, H. J. Solid State Chem. 1989, 80, 102-111
74. Mizusaki, J.; Mori, N.; Takai, H.; Yonemura, Y.; Minamiue, H.; Tagawa, H.; Dokiya, M.; Inaba, H.; Naraya, K.; Sasamoto, T.; Hashimoto, T. Solid State Ionics 2000, 129, 163-177
75. Liu, Z.; Cheng, L.-Z.; Han, M.-F. J. Power Sources 2011, 196, 868-871
76. Konysheva, E. Y.; Xu, X.; Irvine, J. T. S. Adv. Mater. 2012, 24, 528-532
77. Poulsen, F. W. Solid State Ionics 2000, 129, 145-162
78. Murugavel, P.; Lee, J. H.; Lee, K.-B.; Park, J. H.; Chung, J.-S.; Yoon, J.-G.; Noh, T. W. J. Phys. D: Appl. Phys. 2002, 35, 3166-3170
79. Kathrin, D. J. Phys. D: Appl. Phys. 2006, 39, R125
80. Haghiri-Gosnet, A. M.; Renard, J. P. J. Phys. D: Appl. Phys. 2003, 36, R127
81. Marrocchelli, D.; Bishop, S. R.; Tuller, H. L.; Yildiz, B. Adv. Func. Mater. 2012, 22, 1958-1965
82. Marrocchelli, D.; Bishop, S. R.; Tuller, H. L.; Watson, G. W.; Yildiz, B. Phys. Chem. Chem. Phys. 2012, 14, 12070-12074
83. Wu, W.; Wong, K. H.; Mak, C. L.; Choy, C. L.; Zhang, Y. H. J. Appl. Phys. 2000, 88, 2068-2071
84. Ogale, A. S.; Shinde, S. R.; Kulkarni, V. N.; Higgins, J.; Choudhary, R. J.; Kundaliya, D. C.; Polleto, T.; Ogale, S. B.; Greene, R. L.; Venkatesan, T. Phys. Rev. B 2004, 69, 235101
85. Yin, Z.; Gao, G.; Huang, Z.; Jiao, X.; Liu, Q.; Wu, W. J. Phys. D: Appl. Phys. 2009, 42, 125002
86. Oh, D.; Gostovic, D.; Wachsman, E. D. J. Mater. Res. 2012, 27, 1992-1999
87. Huber, A.-K.; Falk, M.; Rohnke, M.; Luerßen, B.; Gregoratti, L.; Amati, M.; Janek, J. Phys. Chem. Chem. Phys. 2012, 14, 751-758
88. Ju, H. L.; Gopalakrishnan, J.; Peng, J. L.; Li, Q.; Xiong, G. C.; Venkatesan, T.; Greene, R. L. Phys. Rev. B 1995, 51, 6143-6146
89. Seo, S. H.; Kang, H. C.; Jang, H. W.; Noh, D. Y. Phys. Rev. B 2005, 71, 012412
90. Goyal, A.; Rajeswari, M.; Shreekala, R.; Lofland, S. E.; Bhagat, S. M.; Boettcher, T.; Kwon, C.; Ramesh, R.; Venkatesan, T. Appl. Phys. Lett. 1997, 71, 2535-2537
91. Salvato, M.; Vecchione, A.; De Santis, A.; Bobba, F.; Cucolo, A. M. J. Appl. Phys. 2005, 97, 103712-5
92. Watts, B. E.; Leccabue, F.; Tallarida, G.; Ferrari, S.; Fanciulli, M.; Padeletti, G. J. Electroceram. 2003, 11, 139-147
93. Watts, B. E. Process. Appl. Ceram. 2009, 3, 97-101
94. Hwang, H. Y.; Iwasa, Y.; Kawasaki, M.; Keimer, B.; Nagaosa, N.; Tokura, Y. Nat. Mater. 2012, 11, 103-113
95. Petrov, A. N.; Kononchuk, O. F.; Andreev, A. V.; Cherepanov, V. A.; Kofstad, P. Solid State Ionics 1995, 80, 189-199
96. Kawada, T.; Yokokawa, H. Key Eng. Mater. 1997, 125-126, 187-248
97. Jacobson, A. J. Chem. Mater. 2010, 22, 660-674
98. Orlovskaya, N.; Kleveland, K.; Grande, T.; Einarsrud, M.-A. J. Eur. Ceram. Soc. 2000, 20, 51-56
99. Rajendran, V.; Muthu Kumaran, S.; Sivasubramanian, V.; Jayakumar, T.; Raj, B. Phys. Status Solidi A 2003, 195, 350-358
100. Lee, Y.-L.; Kleis, J.; Rossmeisl, J.; Morgan, D. Phys. Rev. B 2009, 80, 224101
101. Islam, M. S. J. Mater. Chem. 2000, 10, 1027-1038
102. Khan, M. S.; Islam, M. S.; Bates, D. R. J. Phys. Chem. B 1998, 102, 3099-3104
103. De Souza, R. A.; Maier, J. Phys. Chem. Chem. Phys. 2003, 5, 740-748
104. Jones, A.; Islam, M. S. J. Phys. Chem. C 2008, 112, 4455-4462
105. Akashi, T.; Nanko, M.; Maruyama, T.; Shiraishi, Y.; Tanabe, J. J. Electrochem. Soc. 1998, 145, 2090-2094
106. Smith, J. B.; Norby, T. Solid State Ionics 2006, 177, 639-646
107. Horita, T.; Ishikawa, M.; Yamaji, K.; Sakai, N.; Yokokawa, H.; Dokiya, M. Solid State Ionics 1998, 108, 383-390
108. Horita, T.; Ishikawa, M.; Yamaji, K.; Sakai, N.; Yokokawa, H.; Dokiya, M. Solid State Ionics 1999, 124, 301-307
109. Kuru, Y.; Jalili, H.; Cai, Z.; Yildiz, B.; Tuller, H. L. Adv. Mater. 2011, 23, 4543-4548
110. Labidi, M.; Labidi, S.; Ghemid, S.; Meradji, H.; Hassan, F. E. H. Phys. Scr. 2010, 82, 045605
111. Jiang, S. J. Solid State Electrochem. 2007, 11, 93-102
112. Simner, S. P.; Anderson, M. D.; Engelhard, M. H.; Stevenson, J. W. Electrochem. Solid-State Lett. 2006, 9, A478-A481