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Physical Chemistry Chemical Physics

Volumn 16, Issue 42, 2014, Pages 23118-23133

Development of a ReaxFF potential for Pt-O systems describing the energetics and dynamics of Pt-oxide formation

(6) Fantauzzi, Donato a Bandlow, Jochen a Sabo, Lehel a Mueller, Jonathan E a van Duin, Adri C T b Jacob, Timo a

a UNIVERSITY OF ULM (Germany)

b The Center for Nanotechnology Education and Utilization (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84908077918 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/c4cp03111c Document Type: Article

Times cited : (75)

References (130)

1
- 4243850989
- C. Stampfl, H. J. Kreuzer, S. H. Payne, H. Pfnür, M. Scheffler Phys. Rev. Lett., 1999, 83, 2993-2996
- (1999) Phys. Rev. Lett. , vol.83 , pp. 2993-2996
- Stampfl, C.¹ Kreuzer, H.J.² Payne, S.H.³ Pfnür, H.⁴ Scheffler, M.⁵

2
- 0034712041
- H. Over, Y. D. Kim, A. P. Seitsonen, S. Wendt, E. Lundgren, M. Schmid, P. Varga, A. Morgante, G. Ertl Science, 2000, 287, 1474-1476
- (2000) Science , vol.287 , pp. 1474-1476
- Over, H.¹ Kim, Y.D.² Seitsonen, A.P.³ Wendt, S.⁴ Lundgren, E.⁵ Schmid, M.⁶ Varga, P.⁷ Morgante, A.⁸ Ertl, G.⁹

3
- 4244042114
- K. Reuter, M. Scheffler Phys. Rev. Lett., 2003, 90, 046103.
- (2003) Phys. Rev. Lett. , vol.90 , pp. 46103
- Reuter, K.¹ Scheffler, M.²

4
- 33645338151
- R. Blume, M. Hävecker, S. Zafeiratos, D. Teschner, E. Kleimenov, A. Knop-Gericke, R. Schlögl, A. Barinov, P. Dudin, M. Kiskinova J. Catal., 2006, 239, 354-361
- (2006) J. Catal. , vol.239 , pp. 354-361
- Blume, R.¹ Hävecker, M.² Zafeiratos, S.³ Teschner, D.⁴ Kleimenov, E.⁵ Knop-Gericke, A.⁶ Schlögl, R.⁷ Barinov, A.⁸ Dudin, P.⁹ Kiskinova, M.¹⁰

5
- 0037420956
- A. Michaelides, M. L. Bocquet, P. Sautet, A. Alavi, D. A. King Chem. Phys. Lett., 2003, 367, 344-350
- (2003) Chem. Phys. Lett. , vol.367 , pp. 344-350
- Michaelides, A.¹ Bocquet, M.L.² Sautet, P.³ Alavi, A.⁴ King, D.A.⁵

6
- 33645787721
- J. Schnadt, A. Michaelides, J. Knudsen, R. T. Vang, K. Reuter, E. Lgsgaard, M. Scheffler, F. Besenbacher Phys. Rev. Lett., 2006, 96, 146101.
- (2006) Phys. Rev. Lett. , vol.96 , pp. 146101
- Schnadt, J.¹ Michaelides, A.² Knudsen, J.³ Vang, R.T.⁴ Reuter, K.⁵ Lgsgaard, E.⁶ Scheffler, M.⁷ Besenbacher, F.⁸

7
- 33645770171
- M. Schmid, A. Reicho, A. Stierle, I. Costina, J. Klikovits, P. Kostelnik, O. Dubay, G. Kresse, J. Gustafson, E. Lundgren, J. N. Andersen, H. Dosch, P. Varga Phys. Rev. Lett., 2006, 96, 146102.
- (2006) Phys. Rev. Lett. , vol.96 , pp. 146102
- Schmid, M.¹ Reicho, A.² Stierle, A.³ Costina, I.⁴ Klikovits, J.⁵ Kostelnik, P.⁶ Dubay, O.⁷ Kresse, G.⁸ Gustafson, J.⁹ Lundgren, E.¹⁰ Andersen, J.N.¹¹ Dosch, H.¹² Varga, P.¹³

8
- 0001037906
- R. Imbihl, J. E. Demuth Surf. Sci., 1986, 395-410
- (1986) Surf. Sci. , pp. 395-410
- Imbihl, R.¹ Demuth, J.E.²

9
- 24244441062
- B. A. Banse, B. E. Koel Surf. Sci., 1990, 232, 275-285
- (1990) Surf. Sci. , vol.232 , pp. 275-285
- Banse, B.A.¹ Koel, B.E.²

10
- 0037124882
- E. Lundgren, G. Kresse, C. Klein, M. Borg, J. N. Andersen, M. De Santis, Y. Gauthier, C. Konvicka, M. Schmid, P. Varga Phys. Rev. Lett., 2002, 88, 246103.
- (2002) Phys. Rev. Lett. , vol.88 , pp. 246103
- Lundgren, E.¹ Kresse, G.² Klein, C.³ Borg, M.⁴ Andersen, J.N.⁵ De Santis, M.⁶ Gauthier, Y.⁷ Konvicka, C.⁸ Schmid, M.⁹ Varga, P.¹⁰

11
- 4944242486
- M. Todorova, K. Reuter, M. Scheffler J. Phys. Chem. B, 2004, 108, 14477-14483
- (2004) J. Phys. Chem. B , vol.108 , pp. 14477-14483
- Todorova, M.¹ Reuter, K.² Scheffler, M.³

12
- 0037158037
- B. L. M. Hendriksen, J. W. M. Frenken Phys. Rev. Lett., 2002, 89, 046101.
- (2002) Phys. Rev. Lett. , vol.89 , pp. 46101
- Hendriksen, B.L.M.¹ Frenken, J.W.M.²

13
- 29144462652
- M. D. Ackermann, T. M. Pedersen, B. L. M. Hendriksen, O. Robach, S. C. Bobaru, I. Popa, C. Quiros, H. Kim, B. Hammer, S. Ferrer, J. W. M. Frenken Phys. Rev. Lett., 2005, 95, 255505.
- (2005) Phys. Rev. Lett. , vol.95 , pp. 255505
- Ackermann, M.D.¹ Pedersen, T.M.² Hendriksen, B.L.M.³ Robach, O.⁴ Bobaru, S.C.⁵ Popa, I.⁶ Quiros, C.⁷ Kim, H.⁸ Hammer, B.⁹ Ferrer, S.¹⁰ Frenken, J.W.M.¹¹

14
- 33645287983
- T. M. Pedersen, W. X. Li, B. Hammer Phys. Chem. Chem. Phys., 2006, 8, 1566-1574
- (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 1566-1574
- Pedersen, T.M.¹ Li, W.X.² Hammer, B.³

15
- 79961123835
- J. Bandlow, P. Kaghazchi, T. Jacob, C. Papp, B. Tränkenschuh, R. Streber, M. P. A. Lorenz, T. Fuhrmann, R. Denecke, H.-P. Steinrück Phys. Rev. B: Condens. Matter Mater. Phys., 2011, 83, 174107.
- (2011) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.83 , pp. 174107
- Bandlow, J.¹ Kaghazchi, P.² Jacob, T.³ Papp, C.⁴ Tränkenschuh, B.⁵ Streber, R.⁶ Lorenz, M.P.A.⁷ Fuhrmann, T.⁸ Denecke, R.⁹ Steinrück, H.-P.¹⁰

16
- 0000399964
- T. Matsushima Surf. Sci., 1983, 127, 403-423
- (1983) Surf. Sci. , vol.127 , pp. 403-423
- Matsushima, T.¹

17
- 0011691986
- H. P. D. D. Eley and P. B. Weez, Academic Press
- T. Engel, and G. Ertl, in Advances in Catalysis, ed. H. P. D. D. Eley and P. B. Weez, Academic Press, 1979, vol. 28, pp. 1-78
- (1979) Advances in Catalysis , vol.28 , pp. 1-78
- Engel, T.¹ Ertl, G.²

18
- 0004079079
- Wiley-VCH
- R. Adzic, Electrocatalysis, Wiley-VCH, 1998
- (1998) Electrocatalysis
- Adzic, R.¹

19
- 0003636049
- Marcel Dekker
- J. N. Marković, and P. Ross, Interfacial Electrochemistry: Theory, Experiments and Applications, Marcel Dekker, 1999
- (1999) Interfacial Electrochemistry: Theory, Experiments and Applications
- Marković, J.N.¹ Ross, P.²

20
- 0842274234
- Wiley-VCH
- J. P. Ross, Handbook of Fuel Cells: Fundamentals, Technology, Applications, Wiley-VCH, 2003
- (2003) Handbook of Fuel Cells: Fundamentals, Technology, Applications
- Ross, J.P.¹

21
- 0007491899
- A. C. Luntz, J. Grimblot, D. E. Fowler Phys. Rev. B: Condens. Matter Mater. Phys., 1989, 39, 12903-12906
- (1989) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.39 , pp. 12903-12906
- Luntz, A.C.¹ Grimblot, J.² Fowler, D.E.³

22
- 36449007030
- C. T. Rettner, C. B. Mullins J. Chem. Phys., 1991, 94, 1626-1635
- (1991) J. Chem. Phys. , vol.94 , pp. 1626-1635
- Rettner, C.T.¹ Mullins, C.B.²

23
- 0000972526
- C. T. Rettner, J. Lee J. Chem. Phys., 1994, 101, 10185-10188
- (1994) J. Chem. Phys. , vol.101 , pp. 10185-10188
- Rettner, C.T.¹ Lee, J.²

24
- 0029407071
- C. Puglia, A. Nilsson, B. Hernnäs, O. Karis, P. Bennich, N. Mårtensson Surf. Sci., 1995, 342, 119-133
- (1995) Surf. Sci. , vol.342 , pp. 119-133
- Puglia, C.¹ Nilsson, A.² Hernnäs, B.³ Karis, O.⁴ Bennich, P.⁵ Mårtensson, N.⁶

25
- 0027115103
- A. E. Wiskerke, F. H. Geuzebroek, A. W. Kleyn, B. E. Hayden Surf. Sci., 1992, 272, 256-263
- (1992) Surf. Sci. , vol.272 , pp. 256-263
- Wiskerke, A.E.¹ Geuzebroek, F.H.² Kleyn, A.W.³ Hayden, B.E.⁴

26
- 0028433778
- X. C. Guo, J. M. Bradley, A. Hopkinson, D. A. King Surf. Sci., 1994, 310, 163-182
- (1994) Surf. Sci. , vol.310 , pp. 163-182
- Guo, X.C.¹ Bradley, J.M.² Hopkinson, A.³ King, D.A.⁴

27
- 0007089835
- J. M. Bradley, X.-C. Guo, A. Hopkinson, D. A. King J. Chem. Phys., 1996, 104, 4283-4293
- (1996) J. Chem. Phys. , vol.104 , pp. 4283-4293
- Bradley, J.M.¹ Guo, X.-C.² Hopkinson, A.³ King, D.A.⁴

28
- 0030083249
- A. N. Artsyukhovich, V. A. Ukraintsev, I. Harrison Surf. Sci., 1996, 347, 303-318
- (1996) Surf. Sci. , vol.347 , pp. 303-318
- Artsyukhovich, A.N.¹ Ukraintsev, V.A.² Harrison, I.³

29
- 0031170420
- A.-P. Elg, F. Eisert, A. Rosén Surf. Sci., 1997, 382, 57-66
- (1997) Surf. Sci. , vol.382 , pp. 57-66
- Elg, A.-P.¹ Eisert, F.² Rosén, A.³

30
- 0344599225
- A. Eichler, J. Hafner Phys. Rev. Lett., 1997, 79, 4481-4484
- (1997) Phys. Rev. Lett. , vol.79 , pp. 4481-4484
- Eichler, A.¹ Hafner, J.²

31
- 0000948851
- A. V. Walker, B. Klötzer, D. A. King J. Chem. Phys., 1998, 109, 6879-6888
- (1998) J. Chem. Phys. , vol.109 , pp. 6879-6888
- Walker, A.V.¹ Klötzer, B.² King, D.A.³

32
- 0141441962
- P. D. Nolan, B. R. Lutz, P. L. Tanaka, J. E. Davis, C. B. Mullins J. Chem. Phys., 1999, 111, 3696-3704
- (1999) J. Chem. Phys. , vol.111 , pp. 3696-3704
- Nolan, P.D.¹ Lutz, B.R.² Tanaka, P.L.³ Davis, J.E.⁴ Mullins, C.B.⁵

33
- 0034505369
- A. T. Gee, B. E. Hayden J. Chem. Phys., 2000, 113, 10333-10343
- (2000) J. Chem. Phys. , vol.113 , pp. 10333-10343
- Gee, A.T.¹ Hayden, B.E.²

34
- 39249085264
- P. Gambardella, Ž. Šljivančanin, B. Hammer, M. Blanc, K. Kuhnke, K. Kern Phys. Rev. Lett., 2001, 87, 056103.
- (2001) Phys. Rev. Lett. , vol.87 , pp. 56103
- Gambardella, P.¹ Šljivančanin, Ž.² Hammer, B.³ Blanc, M.⁴ Kuhnke, K.⁵ Kern, K.⁶

35
- 0043166400
- A. Groß, A. Eichler, J. Hafner, M. J. Mehl, D. A. Papaconstantopoulos Surf. Sci., 2003, 539, L542-L548
- (2003) Surf. Sci. , vol.539 , pp. L542-L548
- Groß, A.¹ Eichler, A.² Hafner, J.³ Mehl, M.J.⁴ Papaconstantopoulos, D.A.⁵

36
- 0344946328
- D. S. Mainardi, S. R. Calvo, A. P. J. Jansen, J. J. Lukkien, P. B. Balbuena Chem. Phys. Lett., 2003, 382, 553-560
- (2003) Chem. Phys. Lett. , vol.382 , pp. 553-560
- Mainardi, D.S.¹ Calvo, S.R.² Jansen, A.P.J.³ Lukkien, J.J.⁴ Balbuena, P.B.⁵

37
- 26444583922
- K. Stépán, M. Dürr, J. Güdde, U. Höfer Surf. Sci., 2005, 593, 54-66
- (2005) Surf. Sci. , vol.593 , pp. 54-66
- Stépán, K.¹ Dürr, M.² Güdde, J.³ Höfer, U.⁴

38
- 34547854110
- A. Groß, A. Eichler, J. Hafner, M. J. Mehl, D. A. Papaconstantopoulos J. Chem. Phys., 2006, 124, 174713.
- (2006) J. Chem. Phys. , vol.124 , pp. 174713
- Groß, A.¹ Eichler, A.² Hafner, J.³ Mehl, M.J.⁴ Papaconstantopoulos, D.A.⁵

39
- 34547842572
- C. Sendner, A. Groß J. Chem. Phys., 2007, 127, 014704.
- (2007) J. Chem. Phys. , vol.127 , pp. 14704
- Sendner, C.¹ Groß, A.²

40
- 69549095953
- Y. Yokoyama, T. Hori, R. Okada, D. Harimoto, C. Sugawara, Y. Yamada, M. Sasaki Surf. Sci., 2009, 603, 2845-2848
- (2009) Surf. Sci. , vol.603 , pp. 2845-2848
- Yokoyama, Y.¹ Hori, T.² Okada, R.³ Harimoto, D.⁴ Sugawara, C.⁵ Yamada, Y.⁶ Sasaki, M.⁷

41
- 78650388375
- D. J. Miller, H. Öberg, L.-Å. Näslund, T. Anniyev, H. Ogasawara, L. G. M. Pettersson, A. Nilsson J. Chem. Phys., 2010, 133, 224701.
- (2010) J. Chem. Phys. , vol.133 , pp. 224701
- Miller, D.J.¹ Öberg, H.² Näslund, L.-Å.³ Anniyev, T.⁴ Ogasawara, H.⁵ Pettersson, L.G.M.⁶ Nilsson, A.⁷

42
- 77956316234
- P. Valentini, T. E. Schwartzentruber, I. Cozmuta J. Chem. Phys., 2010, 133, 084703.
- (2010) J. Chem. Phys. , vol.133 , pp. 84703
- Valentini, P.¹ Schwartzentruber, T.E.² Cozmuta, I.³

43
- 77956236293
- Y. S. Kim, A. Bostwick, E. Rotenberg, P. N. Ross, S. C. Hong, B. S. Mun J. Chem. Phys., 2010, 133, 034501.
- (2010) J. Chem. Phys. , vol.133 , pp. 34501
- Kim, Y.S.¹ Bostwick, A.² Rotenberg, E.³ Ross, P.N.⁴ Hong, S.C.⁵ Mun, B.S.⁶

44
- 84870206148
- J.-S. McEwen, J. M. Bray, C. Wu, W. F. Schneider Phys. Chem. Chem. Phys., 2012, 14, 16677-16685
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 16677-16685
- McEwen, J.-S.¹ Bray, J.M.² Wu, C.³ Schneider, W.F.⁴

45
- 42749101820
- H. Tang, A. Van der Ven, B. L. Trout Phys. Rev. B: Condens. Matter Mater. Phys., 2004, 70, 045420.
- (2004) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.70 , pp. 45420
- Tang, H.¹ van der Ven, A.² Trout, B.L.³

46
- 52949101090
- R. B. Getman, Y. Xu, W. F. Schneider J. Phys. Chem. C, 2008, 112, 9559-9572
- (2008) J. Phys. Chem. C , vol.112 , pp. 9559-9572
- Getman, R.B.¹ Xu, Y.² Schneider, W.F.³

47
- 0000720860
- P. R. Norton, J. A. Davies, T. E. Jackman Surf. Sci., 1982, 122, L593-L600
- (1982) Surf. Sci. , vol.122 , pp. L593-L600
- Norton, P.R.¹ Davies, J.A.² Jackman, T.E.³

48
- 52949121783
- S. P. Devarajan, J. A. Hinojosa Jr., J. F. Weaver Surf. Sci., 2008, 602, 3116-3124
- (2008) Surf. Sci. , vol.602 , pp. 3116-3124
- Devarajan, S.P.¹ Hinojosa, J.A.² Weaver, J.F.³

49
- 65349189492
- J. M. Hawkins, J. F. Weaver, A. Asthagiri Phys. Rev. B: Condens. Matter Mater. Phys., 2009, 79, 125434.
- (2009) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.79 , pp. 125434
- Hawkins, J.M.¹ Weaver, J.F.² Asthagiri, A.³

50
- 80555131956
- D. J. Miller, H. Öberg, S. Kaya, H. Sanchez Casalongue, D. Friebel, T. Anniyev, H. Ogasawara, H. Bluhm, L. G. M. Pettersson, A. Nilsson Phys. Rev. Lett., 2011, 107, 195502.
- (2011) Phys. Rev. Lett. , vol.107 , pp. 195502
- Miller, D.J.¹ Öberg, H.² Kaya, S.³ Sanchez Casalongue, H.⁴ Friebel, D.⁵ Anniyev, T.⁶ Ogasawara, H.⁷ Bluhm, H.⁸ Pettersson, L.G.M.⁹ Nilsson, A.¹⁰

51
- 84861057862
- E. F. Holby, J. Greeley, D. Morgan J. Phys. Chem. C, 2012, 116, 9942-9946
- (2012) J. Phys. Chem. C , vol.116 , pp. 9942-9946
- Holby, E.F.¹ Greeley, J.² Morgan, D.³

52
- 0035909763
- A. C. T. van Duin, S. Dasgupta, F. Lorant, W. A. Goddard J. Phys. Chem. A, 2001, 105, 9396-9409
- (2001) J. Phys. Chem. A , vol.105 , pp. 9396-9409
- van Duin, A.C.T.¹ Dasgupta, S.² Lorant, F.³ Goddard, W.A.⁴

53
- 4244024430
- M. S. Daw, M. I. Baskes Phys. Rev. Lett., 1983, 50, 1285.
- (1983) Phys. Rev. Lett. , vol.50 , pp. 1285
- Daw, M.S.¹ Baskes, M.I.²

54
- 4244079381
- M. S. Daw, M. I. Baskes Phys. Rev. B: Condens. Matter Mater. Phys., 1984, 29, 6443.
- (1984) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.29 , pp. 6443
- Daw, M.S.¹ Baskes, M.I.²

55
- 5844383856
- S. M. Foiles, M. I. Baskes, M. S. Daw Phys. Rev. B: Condens. Matter Mater. Phys., 1986, 33, 7983-7991
- (1986) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.33 , pp. 7983-7991
- Foiles, S.M.¹ Baskes, M.I.² Daw, M.S.³

56
- 4243475661
- S. M. Foiles, M. I. Baskes, M. S. Daw Phys. Rev. B: Condens. Matter Mater. Phys., 1988, 37, 10378.
- (1988) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.37 , pp. 10378
- Foiles, S.M.¹ Baskes, M.I.² Daw, M.S.³

57
- 33749125733
- M. I. Baskes Phys. Rev. B: Condens. Matter Mater. Phys., 1992, 46, 2727-2742
- (1992) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.46 , pp. 2727-2742
- Baskes, M.I.¹

58
- 0000798755
- C. J. Casewit, K. S. Colwell, A. K. Rappe J. Am. Chem. Soc., 1992, 114, 10046-10053
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 10046-10053
- Casewit, C.J.¹ Colwell, K.S.² Rappe, A.K.³

59
- 0042041206
- A. K. Rappe, C. J. Casewit, K. S. Colwell, W. A. Goddard, W. M. Skiff J. Am. Chem. Soc., 1992, 114, 10024-10035
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 10024-10035
- Rappe, A.K.¹ Casewit, C.J.² Colwell, K.S.³ Goddard, W.A.⁴ Skiff, W.M.⁵

60
- 84986512474
- B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, M. Karplus J. Comput. Chem., 1983, 4, 187-217
- (1983) J. Comput. Chem. , vol.4 , pp. 187-217
- Brooks, B.R.¹ Bruccoleri, R.E.² Olafson, B.D.³ States, D.J.⁴ Swaminathan, S.⁵ Karplus, M.⁶

61
- 0042296402
- W. Damm, A. Frontera, J. Tirado-Rives, W. L. Jorgensen J. Comput. Chem., 1997, 18, 1955-1970
- (1997) J. Comput. Chem. , vol.18 , pp. 1955-1970
- Damm, W.¹ Frontera, A.² Tirado-Rives, J.³ Jorgensen, W.L.⁴

62
- 0029011701
- W. D. Cornell, P. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell, P. A. Kollman J. Am. Chem. Soc., 1995, 117, 5179-5197
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 5179-5197
- Cornell, W.D.¹ Cieplak, P.² Bayly, C.I.³ Gould, I.R.⁴ Merz, K.M.⁵ Ferguson, D.M.⁶ Spellmeyer, D.C.⁷ Fox, T.⁸ Caldwell, J.W.⁹ Kollman, P.A.¹⁰

63
- 0001216964
- W. D. Cornell, P. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell, P. A. Kollman J. Am. Chem. Soc., 1996, 118, 2309.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 2309
- Cornell, W.D.¹ Cieplak, P.² Bayly, C.I.³ Gould, I.R.⁴ Merz, K.M.⁵ Ferguson, D.M.⁶ Spellmeyer, D.C.⁷ Fox, T.⁸ Caldwell, J.W.⁹ Kollman, P.A.¹⁰

64
- 27744577658
- J. Tersoff Phys. Rev. B: Condens. Matter Mater. Phys., 1989, 39, 5566.
- (1989) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.39 , pp. 5566
- Tersoff, J.¹

65
- 33644817086
- D. W. Brenner Phys. Rev. B: Condens. Matter Mater. Phys., 1990, 42, 9458.
- (1990) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.42 , pp. 9458
- Brenner, D.W.¹

66
- 33947440291
- L. Pauling J. Am. Chem. Soc., 1947, 69, 542-553
- (1947) J. Am. Chem. Soc. , vol.69 , pp. 542-553
- Pauling, L.¹

67
- 0342876686
- W. J. Mortier, S. K. Ghosh, S. Shankar J. Am. Chem. Soc., 1986, 108, 4315-4320
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 4315-4320
- Mortier, W.J.¹ Ghosh, S.K.² Shankar, S.³

68
- 59349114468
- T. T. Järvi, A. Kuronen, M. Hakala, K. Nordlund, A. C. T. v. Duin, W. A. G. Iii, T. Jacob Eur. Phys. J. B, 2008, 66, 75-79
- (2008) Eur. Phys. J. B , vol.66 , pp. 75-79
- Järvi, T.T.¹ Kuronen, A.² Hakala, M.³ Nordlund, K.⁴ Duin, A.C.T.V.⁵ Iii, W.A.G.⁶ Jacob, T.⁷

69
- 77956324714
- J. A. Keith, D. Fantauzzi, T. Jacob, A. C. T. van Duin Phys. Rev. B: Condens. Matter Mater. Phys., 2010, 81, 235404.
- (2010) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.81 , pp. 235404
- Keith, J.A.¹ Fantauzzi, D.² Jacob, T.³ van Duin, A.C.T.⁴

70
- 78649530959
- J. E. Mueller, A. C. T. van Duin, W. A. Goddard J. Phys. Chem. C, 2010, 114, 4939-4949
- (2010) J. Phys. Chem. C , vol.114 , pp. 4939-4949
- Mueller, J.E.¹ van Duin, A.C.T.² Goddard, W.A.³

71
- 1542726248
- Q. Zhang, T. Çağin, A. van Duin, W. A. Goddard, Y. Qi, L. G. Hector Phys. Rev. B: Condens. Matter Mater. Phys., 2004, 69, 045423.
- (2004) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.69 , pp. 45423
- Zhang, Q.¹ Çağin, T.² van Duin, A.³ Goddard, W.A.⁴ Qi, Y.⁵ Hector, L.G.⁶

72
- 39749190130
- D. Raymand, A. C. van Duin, M. Baudin, K. Hermansson Surf. Sci., 2008, 602, 1020-1031
- (2008) Surf. Sci. , vol.602 , pp. 1020-1031
- Raymand, D.¹ van Duin, A.C.² Baudin, M.³ Hermansson, K.⁴

73
- 78649286270
- K. Joshi, A. C. T. v. Duin, T. Jacob J. Mater. Chem., 2010, 20, 10431-10437
- (2010) J. Mater. Chem. , vol.20 , pp. 10431-10437
- Joshi, K.¹ Duin, A.C.T.V.² Jacob, T.³

74
- 77956315929
- A. C. T. van Duin, V. S. Bryantsev, M. S. Diallo, W. A. Goddard, O. Rahaman, D. J. Doren, D. Raymand, K. Hermansson J. Phys. Chem. A, 2010, 114, 9507-9514
- (2010) J. Phys. Chem. A , vol.114 , pp. 9507-9514
- van Duin, A.C.T.¹ Bryantsev, V.S.² Diallo, M.S.³ Goddard, W.A.⁴ Rahaman, O.⁵ Doren, D.J.⁶ Raymand, D.⁷ Hermansson, K.⁸

75
- 84903362833
- T. P. Senftle, R. J. Meyer, M. J. Janik, A. C. T. v. Duin J. Chem. Phys., 2013, 139, 044109.
- (2013) J. Chem. Phys. , vol.139 , pp. 44109
- Senftle, T.P.¹ Meyer, R.J.² Janik, M.J.³ Duin, A.C.T.V.⁴

76
- 37049070447
- A. C. T. van Duin, J. M. A. Baas, B. van de Graaf J. Chem. Soc., Faraday Trans., 1994, 90, 2881.
- (1994) J. Chem. Soc., Faraday Trans. , vol.90 , pp. 2881
- van Duin, A.C.T.¹ Baas, J.M.A.² van de Graaf, B.³

77
- 30244508580
- P. J. Feibelman Phys. Rev. B: Condens. Matter Mater. Phys., 1987, 35, 2626-2646
- (1987) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.35 , pp. 2626-2646
- Feibelman, P.J.¹

78
- 0037105333
- C. Verdozzi, P. Schultz, R. Wu, A. Edwards, N. Kioussis Phys. Rev. B: Condens. Matter Mater. Phys., 2002, 66, 125408.
- (2002) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.66 , pp. 125408
- Verdozzi, C.¹ Schultz, P.² Wu, R.³ Edwards, A.⁴ Kioussis, N.⁵

79
- 4243943295
- J. P. Perdew, K. Burke, M. Ernzerhof 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

80
- 5844306937
- D. R. Hamann Phys. Rev. B: Condens. Matter Mater. Phys., 1989, 40, 2980-2987
- (1989) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.40 , pp. 2980-2987
- Hamann, D.R.¹

81
- 0000549623
- S. G. Louie, S. Froyen, M. L. Cohen Phys. Rev. B: Condens. Matter Mater. Phys., 1982, 26, 1738-1742
- (1982) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.26 , pp. 1738-1742
- Louie, S.G.¹ Froyen, S.² Cohen, M.L.³

82
- 0026242171
- A. Dinsdale Comput. Coupling Phase Diagrams Thermochem., 1991, 15, 317-425
- (1991) Comput. Coupling Phase Diagrams Thermochem. , vol.15 , pp. 317-425
- Dinsdale, A.¹

83
- 27644575638
- J. H. Li, S. H. Liang, H. B. Guo, B. X. Liu Appl. Phys. Lett., 2005, 87, 194111.
- (2005) Appl. Phys. Lett. , vol.87 , pp. 194111
- Li, J.H.¹ Liang, S.H.² Guo, H.B.³ Liu, B.X.⁴

84
- 0345305416
- B.-J. Lee, J.-H. Shim, M. I. Baskes Phys. Rev. B: Condens. Matter Mater. Phys., 2003, 68, 144112.
- (2003) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.68 , pp. 144112
- Lee, B.-J.¹ Shim, J.-H.² Baskes, M.I.³

85
- 0000328216
- M. J. Mehl, D. A. Papaconstantopoulos Phys. Rev. B: Condens. Matter Mater. Phys., 1996, 54, 4519-4530
- (1996) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.54 , pp. 4519-4530
- Mehl, M.J.¹ Papaconstantopoulos, D.A.²

86
- 0003406742
- John Wiley & Sons Inc
- C. Kittel, Introduction to solid state physics, John Wiley & Sons Inc, 1996
- (1996) Introduction to solid state physics
- Kittel, C.¹

87
- 0003469129
- Longman Sc & Tech
- G. Kaye, and T. Laby, Tables of physical and chemical constants, Longman Sc & Tech, 1995
- (1995) Tables of physical and chemical constants
- Kaye, G.¹ Laby, T.²

88
- 0002532733
- R. Macfarlane, J. Rayne, C. Jones Phys. Lett., 1965, 18, 91-92
- (1965) Phys. Lett. , vol.18 , pp. 91-92
- Macfarlane, R.¹ Rayne, J.² Jones, C.³

89
- 0003877758
- CRC Press, 82nd edn
- D. Lide, CRC Handbook of Chemistry and Physics, CRC Press, 82nd edn, 2001
- (2001) CRC Handbook of Chemistry and Physics
- Lide, D.¹

90
- 0141571485
- T. Jacob, R. P. Muller, W. A. Goddard J. Phys. Chem. B, 2003, 107, 9465-9476
- (2003) J. Phys. Chem. B , vol.107 , pp. 9465-9476
- Jacob, T.¹ Muller, R.P.² Goddard, W.A.³

91
- 0032136099
- L. Vitos, A. Ruban, H. Skriver, J. Kollár Surf. Sci., 1998, 411, 186-202
- (1998) Surf. Sci. , vol.411 , pp. 186-202
- Vitos, L.¹ Ruban, A.² Skriver, H.³ Kollár, J.⁴

92
- 0036608965
- I. Galanakis, N. Papanikolaou, P. Dederichs Surf. Sci., 2002, 511, 1-12
- (2002) Surf. Sci. , vol.511 , pp. 1-12
- Galanakis, I.¹ Papanikolaou, N.² Dederichs, P.³

93
- 0000680006
- W. Tyson, W. Miller Surf. Sci., 1977, 62, 267-276
- (1977) Surf. Sci. , vol.62 , pp. 267-276
- Tyson, W.¹ Miller, W.²

94
- 84555218594
- C. R. Iacovella, W. R. French, B. G. Cook, P. R. C. Kent, P. T. Cummings ACS Nano, 2011, 5, 10065-10073
- (2011) ACS Nano , vol.5 , pp. 10065-10073
- Iacovella, C.R.¹ French, W.R.² Cook, B.G.³ Kent, P.R.C.⁴ Cummings, P.T.⁵

95
- 34547450703
- T. Jacob J. Electroanal. Chem., 2007, 607, 158-166
- (2007) J. Electroanal. Chem. , vol.607 , pp. 158-166
- Jacob, T.¹

96
- 0006652810
- American Chemical Society
- R. Hoekstra Henry, S. Siegel, and X. Gallagher Francis, Platinum Group Metals and Compounds, American Chemical Society, 1971, vol. 98, pp. 39-53
- (1971) Platinum Group Metals and Compounds , vol.98 , pp. 39-53
- Hoekstra Henry, R.¹ Siegel, S.² Gallagher Francis, X.³

97
- 0023452999
- K.-J. Range, F. Rau, U. Klement, A. Heyns Mater. Res. Bull., 1987, 22, 1541-1547
- (1987) Mater. Res. Bull. , vol.22 , pp. 1541-1547
- Range, K.-J.¹ Rau, F.² Klement, U.³ Heyns, A.⁴

98
- 0000312527
- W. J. Moore, L. Pauling J. Am. Chem. Soc., 1941, 63, 1392-1394
- (1941) J. Am. Chem. Soc. , vol.63 , pp. 1392-1394
- Moore, W.J.¹ Pauling, L.²

99
- 29144433406
- O. Muller, R. Roy J. Less-Common Met., 1968, 16, 129-146
- (1968) J. Less-Common Met. , vol.16 , pp. 129-146
- Muller, O.¹ Roy, R.²

100
- 19644400985
- W. X. Li, L. Österlund, E. K. Vestergaard, R. T. Vang, J. Matthiesen, T. M. Pedersen, E. Lægsgaard, B. Hammer, F. Besenbacher Phys. Rev. Lett., 2004, 93, 146104.
- (2004) Phys. Rev. Lett. , vol.93 , pp. 146104
- Li, W.X.¹ Österlund, L.² Vestergaard, E.K.³ Vang, R.T.⁴ Matthiesen, J.⁵ Pedersen, T.M.⁶ Lægsgaard, E.⁷ Hammer, B.⁸ Besenbacher, F.⁹

101
- 0004177869
- IFI/Plenum
- G. Samsonov, The Oxide Handbook, IFI/Plenum, 1973
- (1973) The Oxide Handbook
- Samsonov, G.¹

102
- 77950521079
- D. Raymand, A. C. T. van Duin, D. Spngberg, W. A. Goddard III, K. Hermansson Surf. Sci., 2010, 604, 741-752
- (2010) Surf. Sci. , vol.604 , pp. 741-752
- Raymand, D.¹ van Duin, A.C.T.² Spngberg, D.³ Goddard, W.A.⁴ Hermansson, K.⁵

103
- 84902246735
- The Royal Society of Chemistry
- A. C. T. van Duin, C. Zou, K. Joshi, V. Bryantsev, and W. A. Goddard, Computational Catalysis, The Royal Society of Chemistry, 2014, pp. 223-243
- (2014) Computational Catalysis , pp. 223-243
- van Duin, A.C.T.¹ Zou, C.² Joshi, K.³ Bryantsev, V.⁴ Goddard, W.A.⁵

104
- 34249725082
- K. K. Irikura J. Phys. Chem. Ref. Data, 2007, 36, 389-397
- (2007) J. Phys. Chem. Ref. Data , vol.36 , pp. 389-397
- Irikura, K.K.¹

105
- 33748340474
- N. Seriani, W. Pompe, L. C. Ciacchi J. Phys. Chem. B, 2006, 110, 14860-14869
- (2006) J. Phys. Chem. B , vol.110 , pp. 14860-14869
- Seriani, N.¹ Pompe, W.² Ciacchi, L.C.³

106
- 33748319507
- T. Jacob Fuel Cells, 2006, 6, 159-181
- (2006) Fuel Cells , vol.6 , pp. 159-181
- Jacob, T.¹

107
- 33646810135
- T. Jacob, W. A. Goddard ChemPhysChem, 2006, 7, 992-1005
- (2006) ChemPhysChem , vol.7 , pp. 992-1005
- Jacob, T.¹ Goddard, W.A.²

108
- 0001248151
- P. J. Feibelman Annu. Rev. Phys. Chem., 1989, 40, 261-290
- (1989) Annu. Rev. Phys. Chem. , vol.40 , pp. 261-290
- Feibelman, P.J.¹

109
- 85035207818
- Ulm University
- J. Bandlow, PhD thesis, Ulm University, 2011
- (2011) PhD thesis
- Bandlow, J.¹

110
- 33744645484
- E. Kaxiras, Y. Bar-Yam, J. D. Joannopoulos, K. C. Pandey Phys. Rev. B: Condens. Matter Mater. Phys., 1987, 35, 9625-9635
- (1987) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.35 , pp. 9625-9635
- Kaxiras, E.¹ Bar-Yam, Y.² Joannopoulos, J.D.³ Pandey, K.C.⁴

111
- 30244560845
- G.-X. Qian, R. M. Martin, D. J. Chadi Phys. Rev. B: Condens. Matter Mater. Phys., 1988, 38, 7649-7663
- (1988) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.38 , pp. 7649-7663
- Qian, G.-X.¹ Martin, R.M.² Chadi, D.J.³

112
- 0024053537
- M. Scheffler, J. Dabrowski Philos. Mag. A, 1988, 58, 107-121
- (1988) Philos. Mag. A , vol.58 , pp. 107-121
- Scheffler, M.¹ Dabrowski, J.²

113
- 0037080586
- K. Reuter, M. Scheffler Phys. Rev. B: Condens. Matter Mater. Phys., 2001, 65, 035406.
- (2001) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.65 , pp. 35406
- Reuter, K.¹ Scheffler, M.²

114
- 26344435305
- H. Steininger, S. Lehwald, H. Ibach Surf. Sci., 1982, 123, 1-17
- (1982) Surf. Sci. , vol.123 , pp. 1-17
- Steininger, H.¹ Lehwald, S.² Ibach, H.³

115
- 25644434882
- J. F. Weaver, J.-J. Chen, A. L. Gerrard Surf. Sci., 2005, 592, 83-103
- (2005) Surf. Sci. , vol.592 , pp. 83-103
- Weaver, J.F.¹ Chen, J.-J.² Gerrard, A.L.³

116
- 3943071528
- P. J. Feibelman, S. Esch, T. Michely Phys. Rev. Lett., 1996, 77, 2257-2260
- (1996) Phys. Rev. Lett. , vol.77 , pp. 2257-2260
- Feibelman, P.J.¹ Esch, S.² Michely, T.³

117
- 0000709106
- J. L. Gland, V. N. Korchak Surf. Sci., 1978, 75, 733-750
- (1978) Surf. Sci. , vol.75 , pp. 733-750
- Gland, J.L.¹ Korchak, V.N.²

118
- 0031075603
- H. Wang, R. G. Tobin, D. K. Lambert, C. L. DiMaggio, G. B. Fisher Surf. Sci., 1997, 372, 267-278
- (1997) Surf. Sci. , vol.372 , pp. 267-278
- Wang, H.¹ Tobin, R.G.² Lambert, D.K.³ DiMaggio, C.L.⁴ Fisher, G.B.⁵

119
- 79959809035
- J. M. Bray, W. F. Schneider Langmuir, 2011, 27, 8177-8186
- (2011) Langmuir , vol.27 , pp. 8177-8186
- Bray, J.M.¹ Schneider, W.F.²

120
- 84878028523
- T. Ogawa, A. Kuwabara, C. A. J. Fisher, H. Moriwake, T. Miwa J. Phys. Chem. C, 2013, 117, 9772-9778
- (2013) J. Phys. Chem. C , vol.117 , pp. 9772-9778
- Ogawa, T.¹ Kuwabara, A.² Fisher, C.A.J.³ Moriwake, H.⁴ Miwa, T.⁵

121
- 84896571061
- J. M. Bray, J. L. Smith, W. F. Schneider Top. Catal., 2014, 57, 89-105
- (2014) Top. Catal. , vol.57 , pp. 89-105
- Bray, J.M.¹ Smith, J.L.² Schneider, W.F.³

122
- 0001178061
- J. L. Gland Surf. Sci., 1980, 93, 487-514
- (1980) Surf. Sci. , vol.93 , pp. 487-514
- Gland, J.L.¹

123
- 0001507293
- M. R. McClellan, F. R. McFeely, J. L. Gland Surf. Sci., 1983, 124, 188-208
- (1983) Surf. Sci. , vol.124 , pp. 188-208
- McClellan, M.R.¹ McFeely, F.R.² Gland, J.L.³

124
- 0542395693
- A. Bogicevic, J. Strömquist, B. I. Lundqvist Phys. Rev. B: Condens. Matter Mater. Phys., 1998, 57, R4289-R4292
- (1998) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.57 , pp. R4289-R4292
- Bogicevic, A.¹ Strömquist, J.² Lundqvist, B.I.³

125
- 0001228868
- B. C. Stipe, M. A. Rezaei, W. Ho, S. Gao, M. Persson, B. I. Lundqvist Phys. Rev. Lett., 1997, 78, 4410-4413
- (1997) Phys. Rev. Lett. , vol.78 , pp. 4410-4413
- Stipe, B.C.¹ Rezaei, M.A.² Ho, W.³ Gao, S.⁴ Persson, M.⁵ Lundqvist, B.I.⁶

126
- 0000788528
- J. Wintterlin, R. Schuster, G. Ertl Phys. Rev. Lett., 1996, 77, 123-126
- (1996) Phys. Rev. Lett. , vol.77 , pp. 123-126
- Wintterlin, J.¹ Schuster, R.² Ertl, G.³

127
- 84858225064
- K. Kleiner, A. Comas-Vives, M. Naderian, J. E. Mueller, D. Fantauzzi, M. Mesgar, J. A. Keith, J. Anton, T. Jacob Adv. Phys. Chem., 2011, 2011, 252591.
- (2011) Adv. Phys. Chem. , vol.2011 , pp. 252591
- Kleiner, K.¹ Comas-Vives, A.² Naderian, M.³ Mueller, J.E.⁴ Fantauzzi, D.⁵ Mesgar, M.⁶ Keith, J.A.⁷ Anton, J.⁸ Jacob, T.⁹

128
- 84979720656
- Wiley-VCH Verlag GmbH & Co. KGaA
- J. E. Mueller, D. Fantauzzi, and T. Jacob, Multiscale Modeling of Electrochemical Systems, Wiley-VCH Verlag GmbH & Co. KGaA, 2013, pp. 1-74
- (2013) Multiscale Modeling of Electrochemical Systems , pp. 1-74
- Mueller, J.E.¹ Fantauzzi, D.² Jacob, T.³

129
- 24444469623
- S. M. Levine, S. H. Garofalini Surf. Sci., 1986, 167, 198-206
- (1986) Surf. Sci. , vol.167 , pp. 198-206
- Levine, S.M.¹ Garofalini, S.H.²

130
- 4243274893
- J. D. Doll, D. L. Freeman Surf. Sci., 1983, 134, 769-776
- (1983) Surf. Sci. , vol.134 , pp. 769-776
- Doll, J.D.¹ Freeman, D.L.²

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