SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 136, Issue 23, 2014, Pages 8374-8386

Theoretical investigation of H2 oxidation on the Sr 2Fe1.5Mo0.5O6 (001) perovskite surface under anodic solid oxide fuel cell conditions

(8) Suthirakun, Suwit a Ammal, Salai Cheettu a Muñoz García, Ana B b,d Xiao, Guoliang a Chen, Fanglin a Zur Loye, Hans Conrad c Carter, Emily A d Heyden, Andreas a

a The Department of Mechanical Engineering (United States)

b UNIVERSITY OF NAPLES FEDERICO II (Italy)

c UNIVERSITY OF SOUTH CAROLINA (United States)

d Princeton University (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTROCHEMICAL OXIDATION; OXYGEN VACANCIES; PEROVSKITE; SOLID OXIDE FUEL CELLS (SOFC); THERMOANALYSIS;

AB INITIO THERMODYNAMICS; ELECTROCHEMICAL PERFORMANCE; MICRO-KINETIC ANALYSIS; MICROKINETIC MODELING; OPERATING CONDITION; OXIDATION MECHANISMS; OXYGEN VACANCY FORMATION ENERGIES; THEORETICAL INVESTIGATIONS;

ANODIC OXIDATION;

DEUTERIUM; MOLYBDENUM; NICKEL; OXYGEN; PEROVSKITE; TRANSITION ELEMENT; WATER;

AB INITIO CALCULATION; ARTICLE; CATALYSIS; CHEMICAL MODEL; CONCENTRATION (PARAMETERS); CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DESORPTION; ELECTRIC POTENTIAL; ELECTROCHEMICAL OXIDATION; ELECTROCHEMISTRY; ENERGY RESOURCE; OXIDATION; SOLID OXIDE FUEL CELL; SURFACE PROPERTY; THEORETICAL STUDY; THERMODYNAMICS;

EID: 84902288529 PISSN: 00027863 EISSN: 15205126 Source Type: Journal
DOI: 10.1021/ja502629j Document Type: Article

Times cited : (74)

References (54)

1
- 0347134724
- Atkinson, A.; Barnett, S.; Gorte, R. J.; Irvine, J. T. S.; McEvoy, A. J.; Mogensen, M.; Singhal, S. C.; Vohs, J. Nat. Mater. 2004, 3, 17-27
- (2004) Nat. Mater. , vol.3 , pp. 17-27
- Atkinson, A.¹ Barnett, S.² Gorte, R.J.³ Irvine, J.T.S.⁴ McEvoy, A.J.⁵ Mogensen, M.⁶ Singhal, S.C.⁷ Vohs, J.⁸

2
- 10044297120
- Minh, N. Q. Solid State Ionics 2004, 174, 271-277
- (2004) Solid State Ionics , vol.174 , pp. 271-277
- Minh, N.Q.¹

3
- 0027552523
- Minh, N. Q. J. Am. Ceram. Soc. 1993, 76, 563-588
- (1993) J. Am. Ceram. Soc. , vol.76 , pp. 563-588
- Minh, N.Q.¹

4
- 8444237102
- Singh, P.; Minh, N. Q. Int. J. Appl. Ceram. Technol. 2004, 1, 5-15
- (2004) Int. J. Appl. Ceram. Technol. , vol.1 , pp. 5-15
- Singh, P.¹ Minh, N.Q.²

5
- 34547408308
- Sarantaridis, D.; Atkinson, A. Fuel Cells 2007, 7, 246-258
- (2007) Fuel Cells , vol.7 , pp. 246-258
- Sarantaridis, D.¹ Atkinson, A.²

6
- 0030142747
- Iwata, T. J. Electrochem. Soc. 1996, 143, 1521-1525
- (1996) J. Electrochem. Soc. , vol.143 , pp. 1521-1525
- Iwata, T.¹

7
- 0030243776
- Tsoga, A.; Naoumidis, A.; Nikolopoulos, P. Acta Mater. 1996, 44, 3679-3692
- (1996) Acta Mater. , vol.44 , pp. 3679-3692
- Tsoga, A.¹ Naoumidis, A.² Nikolopoulos, P.³

8
- 0034215957
- Simwonis, D.; Tietz, F.; Stover, D. Solid State Ionics 2000, 132, 241-251
- (2000) Solid State Ionics , vol.132 , pp. 241-251
- Simwonis, D.¹ Tietz, F.² Stover, D.³

9
- 0033888369
- Guillodo, M.; Vernoux, P.; Fouletier, J. Solid State Ionics 2000, 127, 99
- (2000) Solid State Ionics , vol.127 , pp. 99
- Guillodo, M.¹ Vernoux, P.² Fouletier, J.³

10
- 33748122890
- Lin, Y.; Zhan, Z.; Barnett, S. A. J. Power Sources 2006, 158, 1313-1316
- (2006) J. Power Sources , vol.158 , pp. 1313-1316
- Lin, Y.¹ Zhan, Z.² Barnett, S.A.³

11
- 78650534345
- Xiao, G.; Chen, F. Electrochem. Commun. 2011, 13, 57-59
- (2011) Electrochem. Commun. , vol.13 , pp. 57-59
- Xiao, G.¹ Chen, F.²

12
- 84859958492
- Muñoz-Garća, A. B.; Bugaris, D. E.; Pavone, M.; Hodges, J. P.; Huq, A.; Chen, F.; zur Loye, H.-C.; Carter, E. A. J. Am. Chem. Soc. 2012, 134, 6826-6833
- (2012) J. Am. Chem. Soc. , vol.134 , pp. 6826-6833
- Muñoz-Garća, A.B.¹ Bugaris, D.E.² Pavone, M.³ Hodges, J.P.⁴ Huq, A.⁵ Chen, F.⁶ Zur Loye, H.-C.⁷ Carter, E.A.⁸

13
- 84875823475
- Muñoz-Garća, A. B.; Pavone, M.; Ritzmann, A. M.; Carter, E. A. Phys. Chem. Chem. Phys. 2013, 15, 6250-6259
- (2013) Phys. Chem. Chem. Phys. , vol.15 , pp. 6250-6259
- Muñoz-Garća, A.B.¹ Pavone, M.² Ritzmann, A.M.³ Carter, E.A.⁴

14
- 84855781431
- Xiao, G. L.; Liu, Q.; Wang, S. W.; Komvokis, V. G.; Amiridis, M. D.; Heyden, A.; Ma, S. G.; Chen, F. L. J. Power Sources 2012, 202, 63-69
- (2012) J. Power Sources , vol.202 , pp. 63-69
- Xiao, G.L.¹ Liu, Q.² Wang, S.W.³ Komvokis, V.G.⁴ Amiridis, M.D.⁵ Heyden, A.⁶ Ma, S.G.⁷ Chen, F.L.⁸

15
- 84869067211
- Xiao, G.; Liu, Q.; Nuansaeng, S.; Chen, F. ECS Trans. 2012, 45, 355-362
- (2012) ECS Trans. , vol.45 , pp. 355-362
- Xiao, G.¹ Liu, Q.² Nuansaeng, S.³ Chen, F.⁴

16
- 77957763659
- Liu, Q.; Dong, X.; Xiao, G.; Zhao, F.; Chen, F. Adv. Mater. 2010, 22, 5478-5482
- (2010) Adv. Mater. , vol.22 , pp. 5478-5482
- Liu, Q.¹ Dong, X.² Xiao, G.³ Zhao, F.⁴ Chen, F.⁵

17
- 0037424915
- Liu, G. Y.; Rao, G. H.; Feng, X. M.; Yang, H. F.; Ouyang, Z. W.; Liu, W. F.; Liang, J. K. J. Alloys Compd. 2003, 353, 42-47
- (2003) J. Alloys Compd. , vol.353 , pp. 42-47
- Liu, G.Y.¹ Rao, G.H.² Feng, X.M.³ Yang, H.F.⁴ Ouyang, Z.W.⁵ Liu, W.F.⁶ Liang, J.K.⁷

18
- 84894434454
- Bugaris, D. E.; Hodges, J. P.; Huq, A.; Chance, W. M.; Heyden, A.; Chen, F.; Loye, H.-C. z. J. Mater. Chem. A 2014, 2, 4045-4054
- (2014) J. Mater. Chem. A , vol.2 , pp. 4045-4054
- Bugaris, D.E.¹ Hodges, J.P.² Huq, A.³ Chance, W.M.⁴ Heyden, A.⁵ Chen, F.⁶ Loye, H.-C.Z.⁷

19
- 2442537377
- Kresse, G.; Furthmuller, J. Phys. Rev. B 1996, 54, 11169-11186
- (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
- Kresse, G.¹ Furthmuller, J.²

20
- 0011236321
- Kresse, G.; Joubert, D. Phys. Rev. B 1999, 59, 1758-1775
- (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
- Kresse, G.¹ Joubert, D.²

21
- 4243943295
- Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

22
- 25744460922
- Blöchl, P. E. Phys. Rev. B 1994, 50, 17953-17979
- (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
- Blöchl, P.E.¹

23
- 80054733564
- Muñoz-Garcia, A. B.; Pavone, M.; Carter, E. A. Chem. Mater. 2011, 23, 4525-4536
- (2011) Chem. Mater. , vol.23 , pp. 4525-4536
- Muñoz-Garcia, A.B.¹ Pavone, M.² Carter, E.A.³

24
- 1842816907
- Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188-5192
- (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
- Monkhorst, H.J.¹ Pack, J.D.²

25
- 0001671054
- Makov, G.; Payne, M. C. Phys. Rev. B 1995, 51, 4014-4022
- (1995) Phys. Rev. B , vol.51 , pp. 4014-4022
- Makov, G.¹ Payne, M.C.²

26
- 0034513054
- Henkelman, G.; Uberuaga, B. P.; Jonsson, H. J. Chem. Phys. 2000, 113, 9901-9904
- (2000) J. Chem. Phys. , vol.113 , pp. 9901-9904
- Henkelman, G.¹ Uberuaga, B.P.² Jonsson, H.³

27
- 29244462339
- Heyden, A.; Bell, A. T.; Keil, F. J. J. Chem. Phys. 2005, 123, 224101
- (2005) J. Chem. Phys. , vol.123 , pp. 224101
- Heyden, A.¹ Bell, A.T.² Keil, F.J.³

28
- 0000327364
- Henkelman, G.; Jonsson, H. J. Chem. Phys. 1999, 111, 7010-7022
- (1999) J. Chem. Phys. , vol.111 , pp. 7010-7022
- Henkelman, G.¹ Jonsson, H.²

29
- 10844224689
- Olsen, R. A.; Kroes, G. J.; Henkelman, G.; Arnaldsson, A.; Jonsson, H. J. Chem. Phys. 2004, 121, 9776-9792
- (2004) J. Chem. Phys. , vol.121 , pp. 9776-9792
- Olsen, R.A.¹ Kroes, G.J.² Henkelman, G.³ Arnaldsson, A.⁴ Jonsson, H.⁵

30
- 67649100453
- Politecnico di Milano, (accessed May 12, 2014).
- Buzzi-Ferraris, G. Politecnico di Milano, BzzMath: Numerical Libraries in C++, 2012; www.chem.polimi.it/homes/gbuzzi (accessed May 12, 2014).
- (2012) BzzMath: Numerical Libraries in C++
- Buzzi-Ferraris, G.¹

31
- 70349383225
- Stegelmann, C.; Andreasen, A.; Campbell, C. T. J. Am. Chem. Soc. 2009, 131, 13563-13563
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 13563-13563
- Stegelmann, C.¹ Andreasen, A.² Campbell, C.T.³

32
- 67650308083
- Stegelmann, C.; Andreasen, A.; Campbell, C. T. J. Am. Chem. Soc. 2009, 131, 8077-8082
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 8077-8082
- Stegelmann, C.¹ Andreasen, A.² Campbell, C.T.³

33
- 78149374092
- Ammal, S. C.; Heyden, A. J. Chem. Phys. 2010, 133, 164703
- (2010) J. Chem. Phys. , vol.133 , pp. 164703
- Ammal, S.C.¹ Heyden, A.²

34
- 9744261716
- Nørskov, J. K.; Rossmeisl, J.; Logadottir, A.; Lindqvist, L.; Kitchin, J. R.; Bligaard, T.; Jonsson, H. J. Phys. Chem. B 2004, 108, 17886-17892
- (2004) J. Phys. Chem. B , vol.108 , pp. 17886-17892
- Nørskov, J.K.¹ Rossmeisl, J.² Logadottir, A.³ Lindqvist, L.⁴ Kitchin, J.R.⁵ Bligaard, T.⁶ Jonsson, H.⁷

35
- 0003516749
- 6th ed. Oxford University Press: Oxford.
- Atkins, P. W. Physical Chemistry, 6th ed.; Oxford University Press: Oxford, 1998.
- (1998) Physical Chemistry
- Atkins, P.W.¹

36
- 67049168745
- Laursen, S.; Linic, S. J. Phys. Chem. C 2009, 113, 6689-6693
- (2009) J. Phys. Chem. C , vol.113 , pp. 6689-6693
- Laursen, S.¹ Linic, S.²

37
- 70450225391
- Laursen, S.; Linic, S. Phys. Chem. Chem. Phys. 2009, 11, 11006-11012
- (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 11006-11012
- Laursen, S.¹ Linic, S.²

38
- 34347342797
- Rogal, J.; Reuter, K.; Scheffler, M. Phys. Rev. B 2007, 75, 205433
- (2007) Phys. Rev. B , vol.75 , pp. 205433
- Rogal, J.¹ Reuter, K.² Scheffler, M.³

39
- 34548380756
- Sun, C. W.; Stimming, U. J. Power Sources 2007, 171, 247-260
- (2007) J. Power Sources , vol.171 , pp. 247-260
- Sun, C.W.¹ Stimming, U.²

40
- 4244129856
- Kröger, F. A.; Vink, H. J. Solid State Phys. 1956, 3, 307-435
- (1956) Solid State Phys. , vol.3 , pp. 307-435
- Kröger, F.A.¹ Vink, H.J.²

41
- 79953222957
- Xiao, G. L.; Liu, Q. A.; Zhao, F.; Zhang, L.; Xia, C. R.; Chen, F. L. J. Electrochem. Soc. 2011, 158, B455-B460
- (2011) J. Electrochem. Soc. , vol.158
- Xiao, G.L.¹ Liu, Q.A.² Zhao, F.³ Zhang, L.⁴ Xia, C.R.⁵ Chen, F.L.⁶

42
- 77952239031
- Sun, C. W.; Hui, R.; Roller, J. J. Solid State Electrochem. 2010, 14, 1125-1144
- (2010) J. Solid State Electrochem. , vol.14 , pp. 1125-1144
- Sun, C.W.¹ Hui, R.² Roller, J.³

43
- 84882309031
- Nelson, G. J.; Nakajo, A.; Cassenti, B. N.; DeGostin, M. B.; Bagshaw, K. R.; Peracchio, A. A.; Xiao, G. L.; Wang, S.; Chen, F. L.; Chiu, W. K. S. J. Power Sources 2014, 246, 322-334
- (2014) J. Power Sources , vol.246 , pp. 322-334
- Nelson, G.J.¹ Nakajo, A.² Cassenti, B.N.³ Degostin, M.B.⁴ Bagshaw, K.R.⁵ Peracchio, A.A.⁶ Xiao, G.L.⁷ Wang, S.⁸ Chen, F.L.⁹ Chiu, W.K.S.¹⁰

44
- 70350724335
- Ingram, D. B.; Linic, S. J. Electrochem. Soc. 2009, 156, B1457-B1465
- (2009) J. Electrochem. Soc. , vol.156
- Ingram, D.B.¹ Linic, S.²

45
- 34547554096
- Mukherjee, J.; Linic, S. J. Electrochem. Soc. 2007, 154, B919-B924
- (2007) J. Electrochem. Soc. , vol.154
- Mukherjee, J.¹ Linic, S.²

46
- 79961028101
- (accessed May 12, 2014).
- NIST Chemistry WebBook; http://webbook.nist.gov/chemistry (accessed May 12, 2014).
- NIST Chemistry WebBook

47
- 0003561662
- 2 nd ed. John Wiley & Sons: New York.
- Bard, A. J.; Faulkner, L. R. Electrochemical Methods: Fundamentals and Applications; 2 nd ed.; John Wiley & Sons: New York, 2001.
- (2001) Electrochemical Methods: Fundamentals and Applications
- Bard, A.J.¹ Faulkner, L.R.²

48
- 84855888172
- Ammal, S. C.; Heyden, A. J. Phys. Chem. C 2012, 116, 1624-1624
- (2012) J. Phys. Chem. C , vol.116 , pp. 1624-1624
- Ammal, S.C.¹ Heyden, A.²

49
- 80053516367
- Ammal, S. C.; Heyden, A. J. Phys. Chem. C 2011, 115, 19246-19259
- (2011) J. Phys. Chem. C , vol.115 , pp. 19246-19259
- Ammal, S.C.¹ Heyden, A.²

50
- 84860381351
- Aranifard, S.; Ammal, S. C.; Heyden, A. J. Phys. Chem. C 2012, 116, 9029-9042
- (2012) J. Phys. Chem. C , vol.116 , pp. 9029-9042
- Aranifard, S.¹ Ammal, S.C.² Heyden, A.³

51
- 84867186736
- Ammal, S. C.; Heyden, A. J. Phys. Chem. Lett. 2012, 3, 2767-2772
- (2012) J. Phys. Chem. Lett. , vol.3 , pp. 2767-2772
- Ammal, S.C.¹ Heyden, A.²

52
- 0004157499
- Oxford University Press: New York.
- Bader, R. F. W. Atoms in Molecules-A Quantum Theory; Oxford University Press: New York, 1990.
- (1990) Atoms in Molecules - A Quantum Theory
- Bader, R.F.W.¹

53
- 65449183764
- Tang, W.; Sanville, E.; Henkelman, G. J. Phys.: Condens. Matter 2009, 21, 084204
- (2009) J. Phys.: Condens. Matter , vol.21 , pp. 084204
- Tang, W.¹ Sanville, E.² Henkelman, G.³

54
- 78650184725
- Shishkin, M.; Ziegler, T. J. Phys. Chem. C 2010, 114, 21411-21416
- (2010) J. Phys. Chem. C , vol.114 , pp. 21411
- Shishkin, M.¹ Ziegler, T.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.