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International Journal of Quantum Chemistry

Volumn 112, Issue 24, 2012, Pages 3896-3903

Sequential hydrogen dissociation from a charged Pt 13H 24 cluster modeled by ab initio molecular dynamics

(4) Meng, Qingguo a Stanley May, P a Berry, Mary T a Kilin, Dmitri a

a University of South Dakota (United States)

Author keywords

activation energy; AIMD; catalysis; charged platinum cluster; DFT; hydrogen desorption; hydrogen evolution; proton reduction; surface reaction dynamics

Indexed keywords

AIMD; DFT; HYDROGEN DESORPTION; HYDROGEN EVOLUTION; PLATINUM CLUSTERS; PROTON REDUCTION; REACTION DYNAMICS;

ACTIVATION ENERGY; ATOMS; CALCULATIONS; CATALYSIS; CHEMISORPTION; CLUSTER COMPUTING; DESORPTION; HYDROGEN; MOLECULAR DYNAMICS; PHOTODISSOCIATION; PLATINUM; REACTION KINETICS; SURFACE REACTIONS;

PLATINUM COMPOUNDS;

EID: 84869081016 PISSN: 00207608 EISSN: 1097461X Source Type: Journal
DOI: 10.1002/qua.24301 Document Type: Conference Paper

Times cited : (29)

References (61)

1
- 77953307762
- (a), A. Chen, P. Holt-Hindle, Chem. Rev. 2010, 110, 3767
- (2010) Chem. Rev. , vol.110 , pp. 3767
- Chen, A.¹ Holt-Hindle, P.²

2
- 60749094303
- (b), J. K. Edwards, B. Solsana, E. Ntainjua, N. P. Landon, A. F. Carley, A. A. Herzing, C. J. Kiely, G. J. Hutchings, Science 2009, 323, 1037
- (2009) Science , vol.323 , pp. 1037
- Edwards, J.K.¹ Solsana, B.² Ntainjua, E.³ Landon, N.P.⁴ Carley, A.F.⁵ Herzing, A.A.⁶ Kiely, C.J.⁷ Hutchings, G.J.⁸

3
- 78651458065
- (c), L. Kesavan, R. Tiruvalam, M. I. bin Saiman, D. I. Enache, R. L. Jenkins, N. Dimitratos, J. A. Lopez-Sanchez, S. H. Taylor, D. W. Knight, C. J. Kiely, G. J. Hutchings, Science 2011, 331, 195
- (2011) Science , vol.331 , pp. 195
- Kesavan, L.¹ Tiruvalam, R.² Bin Saiman, M.I.³ Enache, D.I.⁴ Jenkins, R.L.⁵ Dimitratos, N.⁶ Lopez-Sanchez, J.A.⁷ Taylor, S.H.⁸ Knight, D.W.⁹ Kiely, C.J.¹⁰ Hutchings, G.J.¹¹

4
- 33845546747
- (d), A. S. K. Hashmi, G. J. Hutchings, Angew. Chem. Int. Ed. Engl. 2006, 45, 7896
- (2006) Angew. Chem. Int. Ed. Engl. , vol.45 , pp. 7896
- Hashmi, A.S.K.¹ Hutchings, G.J.²

5
- 84857428166
- (e), M. Brust, G. J. Gordillo, J. Am. Chem. Soc. 2012, 134: 3318
- (2012) J. Am. Chem. Soc. , vol.134 , pp. 3318
- Brust, M.¹ Gordillo, G.J.²

6
- 79952940108
- (f), L. M. Utschig, N. M. Dimitrijevic, O. G. Poluektov, S. D. Chemerisov, K. L. Mulfort, D. M. Tiede, J. Phys. Chem. Lett. 2011, 2, 236
- (2011) J. Phys. Chem. Lett. , vol.2 , pp. 236
- Utschig, L.M.¹ Dimitrijevic, N.M.² Poluektov, O.G.³ Chemerisov, S.D.⁴ Mulfort, K.L.⁵ Tiede, D.M.⁶

7
- 84859150659
- (g), M. R. Provorse, C. M. Aikens, Comput. Theoret. Chem. 2012, 987, 16
- (2012) Comput. Theoret. Chem. , vol.987 , pp. 16
- Provorse, M.R.¹ Aikens, C.M.²

8
- 65649093691
- (h), D. S. Kilin, K. L. Tsemekhman, S. V. Kilina, A. V. Balatsky, O. V. Prezhdo, J. Phys. Chem. A 2009, 113, 4549
- (2009) J. Phys. Chem. A , vol.113 , pp. 4549
- Kilin, D.S.¹ Tsemekhman, K.L.² Kilina, S.V.³ Balatsky, A.V.⁴ Prezhdo, O.V.⁵

9
- 77950160787
- (i), S. Goel, K. A. Velizhanin, A. Piryatinski, S. Tretiak, S. A. Ivanov, J. Phys. Chem. Lett. 2010, 1, 927
- (2010) J. Phys. Chem. Lett. , vol.1 , pp. 927
- Goel, S.¹ Velizhanin, K.A.² Piryatinski, A.³ Tretiak, S.⁴ Ivanov, S.A.⁵

10
- 84862847997
- (j), H. Hakkinen, Nat. Chem. 2012, 4, 443.
- (2012) Nat. Chem. , vol.4 , pp. 443
- Hakkinen, H.¹

11
- 0001436936
- (a), S. W. Chen, R.W. Murray, S.W. Feldberg, J. Phys. Chem. B 1998, 102, 9898
- (1998) J. Phys. Chem. B , vol.102 , pp. 9898
- Chen, S.W.¹ Murray, R.W.² Feldberg, S.W.³

12
- 80053475466
- (b), S. F. Mertens, C. Vollmer, A. Held, M. H. Aquirre, M. Walter, C. Janiak, T. Wandlowski, Angew. Chem. Int. Ed. Engl. 2011, 50, 9735
- (2011) Angew. Chem. Int. Ed. Engl. , vol.50 , pp. 9735
- Mertens, S.F.¹ Vollmer, C.² Held, A.³ Aquirre, M.H.⁴ Walter, M.⁵ Janiak, C.⁶ Wandlowski, T.⁷

13
- 0037668858
- (c), M. Anpo, M. Takeuchi, J. Catal. 2003, 216, 505
- (2003) J. Catal. , vol.216 , pp. 505
- Anpo, M.¹ Takeuchi, M.²

14
- 0000693646
- (d), J. D. Roth, G. J. Lewis, L. K. Safford, X. Jiang, L. F. Dahl, M. J. Weaver, J. Am. Chem. Soc. 1992, 114, 6159
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 6159
- Roth, J.D.¹ Lewis, G.J.² Safford, L.K.³ Jiang, X.⁴ Dahl, L.F.⁵ Weaver, M.J.⁶

15
- 77953438871
- (e), F. Rabilloud, M. Harb, H. Ndome, P. Archirel, J. Phys. Chem. A 2010, 114, 6451.
- (2010) J. Phys. Chem. A , vol.114 , pp. 6451
- Rabilloud, F.¹ Harb, M.² Ndome, H.³ Archirel, P.⁴

16
- 33947483557
- (a), S. J. Khoobiar, J. Phys. Chem. 1964, 68, 411
- (1964) J. Phys. Chem. , vol.68 , pp. 411
- Khoobiar, S.J.¹

17
- 84858051183
- (b), G. Kyriakou, M. B. Boucher, A. D. Jewell, E. A. Lewis, T. J. Lawton, A. E. Baber, H. L. Tierney, M. Flytzani-Stephanopoulos, E. C. H. Sykes, Science 2012, 335, 1209.
- (2012) Science , vol.335 , pp. 1209
- Kyriakou, G.¹ Boucher, M.B.² Jewell, A.D.³ Lewis, E.A.⁴ Lawton, T.J.⁵ Baber, A.E.⁶ Tierney, H.L.⁷ Flytzani-Stephanopoulos, M.⁸ Sykes, E.C.H.⁹

18
- 0002445804
- K. Christmann, Surf. Sci. Rep. 1988, 9, 1.
- (1988) Surf. Sci. Rep. , vol.9 , pp. 1
- Christmann, K.¹

19
- 33750461988
- (a), L. Barrio, P. Liu, J. A. Rodríguez, J. M. Campos-Martín, J. Fierro, J. Chem. Phys. 2006, 125, 164715
- (2006) J. Chem. Phys. , vol.125 , pp. 164715
- Barrio, L.¹ Liu, P.² Rodríguez, J.A.³ Campos-Martín, J.M.⁴ Fierro, J.⁵

20
- 1542554535
- (b), N. Watari, S. Ohnishi, J. Chem. Phys. 1997, 106, 7531
- (1997) J. Chem. Phys. , vol.106 , pp. 7531
- Watari, N.¹ Ohnishi, S.²

21
- 66549099497
- (c), L. A. Chen, C. G. Zhou, J. P. Wu, H. S. Cheng, Front. Phys. China 2009, 4, 356
- (2009) Front. Phys. China , vol.4 , pp. 356
- Chen, L.A.¹ Zhou, C.G.² Wu, J.P.³ Cheng, H.S.⁴

22
- 51049109183
- (d), C. G. Zhou, S. J. Yao, J. P. Wu, R. C. Forrey, L. Chen, A. Tachibana, H. S. Cheng, Phys. Chem. Chem, Phys. 2008, 10, 5445.
- (2008) Phys. Chem. Chem, Phys. , vol.10 , pp. 5445
- Zhou, C.G.¹ Yao, S.J.² Wu, J.P.³ Forrey, R.C.⁴ Chen, L.⁵ Tachibana, A.⁶ Cheng, H.S.⁷

23
- 33748440199
- Y. Okamoto, Chem. Phys. Lett. 2006, 429, 209.
- (2006) Chem. Phys. Lett. , vol.429 , pp. 209
- Okamoto, Y.¹

24
- 0037159071
- E. Pijper, G. J. Kroes, R. A. Olsen, E. J. Baerends, J. Chem. Phys. 2002, 117, 5885.
- (2002) J. Chem. Phys. , vol.117 , pp. 5885
- Pijper, E.¹ Kroes, G.J.² Olsen, R.A.³ Baerends, E.J.⁴

25
- 0000920777
- (a), W. Xu, K. D. Schierbaum, W. Geopel, Int. J. Quantum Chem. 1997, 62, 427
- (1997) Int. J. Quantum Chem. , vol.62 , pp. 427
- Xu, W.¹ Schierbaum, K.D.² Geopel, W.³

26
- 34248205045
- (b), L. Chen, A. C. Cooper, G. P. Pez, H. S. Cheng, J. Phys. Chem. C 2007, 111, 5514.
- (2007) J. Phys. Chem. C , vol.111 , pp. 5514
- Chen, L.¹ Cooper, A.C.² Pez, G.P.³ Cheng, H.S.⁴

27
- 0001012335
- L. Yang, A. E. DePristo, J. Chem. Phys. 1994, 100, 725.
- (1994) J. Chem. Phys. , vol.100 , pp. 725
- Yang, L.¹ Depristo, A.E.²

28
- 40949156135
- Y. Sun, M. Zhang, R. Fournier, Phys. Rev. B 2008, 77, 075435.
- (2008) Phys. Rev. B , vol.77 , pp. 075435
- Sun, Y.¹ Zhang, M.² Fournier, R.³

29
- 33748805242
- J. H. Kang, L. D. Menard, R. G. Nuzzo, A. I. Frenkel, J. Am. Chem. Soc. 2006, 128, 12068.
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 12068
- Kang, J.H.¹ Menard, L.D.² Nuzzo, R.G.³ Frenkel, A.I.⁴

30
- 77953109639
- J. Singh, R. C. Nelson, B. C. Vicente, S. L. Scott, J. A. van Bokhoven, Phys. Chem. Chem. Phys. 2010, 12, 5668.
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 5668
- Singh, J.¹ Nelson, R.C.² Vicente, B.C.³ Scott, S.L.⁴ Van Bokhoven, J.A.⁵

31
- 4243606192
- (a), R. Car, M. Parrinello, Phys. Rev. Lett. 1985, 55, 2471
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

32
- 2442537377
- (b), G. Kresse, J. Furthmuller, Phys. Rev. B 1996, 54, 11169
- (1996) Phys. Rev. B , vol.54 , pp. 11169
- Kresse, G.¹ Furthmuller, J.²

33
- 50149093649
- (c), J. Hafner, J. Comput. Chem. 2008, 29, 2044.
- (2008) J. Comput. Chem. , vol.29 , pp. 2044
- Hafner, J.¹

34
- 0042113153
- W. Kohn, L. J. Sham, Phys. Rev. A 1965, 140, 1133.
- (1965) Phys. Rev. A , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

35
- 4243943295
- J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865.
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

36
- 20544463457
- D. Vanderbilt, Phys. Rev. B. 1990, 41, 7892.
- (1990) Phys. Rev. B. , vol.41 , pp. 7892
- Vanderbilt, D.¹

37
- 34547564932
- R. P. Feynman, Phys. Rev. 1939, 56, 340.
- (1939) Phys. Rev. , vol.56 , pp. 340
- Feynman, R.P.¹

38
- 21244471846
- Cambridge University Press: Cambridge
- R. M. Martin, Electronic Structure; Cambridge University Press: Cambridge, 2008; pp. 57-58.
- (2008) Electronic Structure , pp. 57-58
- Martin, R.M.¹

39
- 0034600345
- Papoian, G, J. K. Nørskov, R. Hoffmann, J. Am. Chem. Soc. 2000, 122, 4129-4144.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 4129-4144
- Papoian, G.¹ Nørskov, J.K.² Hoffmann, R.³

40
- 34248205045
- L. Chen, A. C. Cooper, G. P. Pez, H. Cheng, J. Phys. Chem. C 2007, 111, 5514-5519.
- (2007) J. Phys. Chem. C , vol.111 , pp. 5514-5519
- Chen, L.¹ Cooper, A.C.² Pez, G.P.³ Cheng, H.⁴

41
- 0003662423
- Chapter 6 W. H. Freeman and Company: San Francisco
- V. R. Williams, W. L. Mattice, H. B. Villiams, Basic Physical chemistry for the Life Sciences; W. H. Freeman and Company: San Francisco, 1978; Chapter 6, pp. 328-330.
- (1978) Basic Physical Chemistry for the Life Sciences , pp. 328-330
- Williams, V.R.¹ Mattice, W.L.² Villiams, H.B.³

42
- 0141914575
- E. Aprà, A. Fortunelli, J. Phys. Chem. A 2003, 107, 2934.
- (2003) J. Phys. Chem. A , vol.107 , pp. 2934
- Aprà, E.¹ Fortunelli, A.²

43
- 34247593671
- E. Borgarello, J. Kiwi, E. Pelizzetti, M. Visca, M. Grätzel, Nature 1981, 289, 158.
- (1981) Nature , vol.289 , pp. 158
- Borgarello, E.¹ Kiwi, J.² Pelizzetti, E.³ Visca, M.⁴ Grätzel, M.⁵

44
- 79959231474
- C. Mager-Maury, G. Bonnard, C. Chizallet, P. Sautet, P. Raybaud, ChemCatChem. 2011, 3, 200.
- (2011) ChemCatChem. , vol.3 , pp. 200
- Mager-Maury, C.¹ Bonnard, G.² Chizallet, C.³ Sautet, P.⁴ Raybaud, P.⁵

45
- 84857695659
- (a), P. V. Kamat, J. Phys. Chem. Lett. 2012, 3, 663
- (2012) J. Phys. Chem. Lett. , vol.3 , pp. 663
- Kamat, P.V.¹

46
- 79953727261
- (b), D. B. Ingram, S. Linic, J. Am. Chem. Soc. 2011, 133, 5202
- (2011) J. Am. Chem. Soc. , vol.133 , pp. 5202
- Ingram, D.B.¹ Linic, S.²

47
- 79957483066
- (c), P. Christopher, H. Xin, S. Linic, Nat. Chem. 2011, 3, 467.
- (2011) Nat. Chem. , vol.3 , pp. 467
- Christopher, P.¹ Xin, H.² Linic, S.³

48
- 77649272706
- (a), B. R. Cuenya, Thin Solid Films 2010, 518, 3127
- (2010) Thin Solid Films , vol.518 , pp. 3127
- Cuenya, B.R.¹

49
- 84859738264
- (b), G. N. Vayssilov, G. P. Petrova, E. A. I. Shor, V. A. Nasluzov, A. M. Shor, P. St Petkov, N. Rosch, Phys. Chem. Chem. Phys. 2012, 14, 5879.
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 5879
- Vayssilov, G.N.¹ Petrova, G.P.² Shor, E.A.I.³ Nasluzov, V.A.⁴ Shor, A.M.⁵ St Petkov, P.⁶ Rosch, N.⁷

50
- 77956308605
- (a), M. Boronat, A. Corma, Dalton Trans. 2010, 39, 8538
- (2010) Dalton Trans. , vol.39 , pp. 8538
- Boronat, M.¹ Corma, A.²

51
- 65549124618
- (b), M. Boronat, F. Illas, A. Corma, J. Phys. Chem. A 2009, 113, 3750
- (2009) J. Phys. Chem. A , vol.113 , pp. 3750
- Boronat, M.¹ Illas, F.² Corma, A.³

52
- 31144447079
- (c), D. I. Enache, J. K. Edwards, P. Landon, B. Solsona-Espriu, A. F. Carley, A. A. Herzing, M. Watanabe, C. J. Kiely, D. W. Knight, G. J. Hutchings, Science 2006, 311, 362.
- (2006) Science , vol.311 , pp. 362
- Enache, D.I.¹ Edwards, J.K.² Landon, P.³ Solsona-Espriu, B.⁴ Carley, A.F.⁵ Herzing, A.A.⁶ Watanabe, M.⁷ Kiely, C.J.⁸ Knight, D.W.⁹ Hutchings, G.J.¹⁰

53
- 0003114632
- (a), D. M. Collins, W. E. Spicer, Surf. Sci. 1977, 69, 85
- (1977) Surf. Sci. , vol.69 , pp. 85
- Collins, D.M.¹ Spicer, W.E.²

54
- 0026413824
- (b), B. Pennemann, K. Oster, K. Wandelt, Surf. Sci. 1991, 249, 35
- (1991) Surf. Sci. , vol.249 , pp. 35
- Pennemann, B.¹ Oster, K.² Wandelt, K.³

55
- 27744504696
- (c), J. Wang, U. Burghaus, J. Chem. Phys. 2005, 123, 184716.
- (2005) J. Chem. Phys. , vol.123 , pp. 184716
- Wang, J.¹ Burghaus, U.²

56
- 0034513054
- G. Henkelman, B. P. Uberuaga, H. Jonsson, J. Chem. Phys. 2000, 113, 9901.
- (2000) J. Chem. Phys. , vol.113 , pp. 9901
- Henkelman, G.¹ Uberuaga, B.P.² Jonsson, H.³

57
- 84869093777
- DOI:10.1002/qua.24290.
- S. Jensen, D. Kilin, Int. J. Quantum Chem. 2012, DOI:10.1002/qua.24290.
- (2012) Int. J. Quantum Chem.
- Jensen, S.¹ Kilin, D.²

58
- 84869093131
- DOI:10.1002/qua24289.
- Y. Zhang, D. Kilin, Int. J. Quantum Chem. 2012, DOI:10.1002/qua24289.
- (2012) Int. J. Quantum Chem.
- Zhang, Y.¹ Kilin, D.²

59
- 84866049708
- Atomistic simulation of dissipative charge carrier dynamics for photocatalysis
- MRSF11 p. mrsf
- (a), T. M. Inerbaev, D.S. Kilin, J. Hoefelmeyer, Atomistic simulation of dissipative charge carrier dynamics for photocatalysis. MRS Proceedings, 2012, 1390 (mrsf11): p. mrsf 11-1390-i03-03
- (2012) MRS Proceedings , vol.1390
- Inerbaev, T.M.¹ Kilin, D.S.² Hoefelmeyer, J.³

60
- 84869090141
- DOI: 10.1002/qua.24291
- (b), J. Chen, A. Schmitz, D. S. Kilin, Int. J. Quantum Chem. 2012, DOI: 10.1002/qua.24291
- (2012) Int. J. Quantum Chem.
- Chen, J.¹ Schmitz, A.² Kilin, D.S.³

61
- 77949741603
- (c), D. S. Kilin, D. A. Micha, J. Phys. Chem. Lett. 2010, 1, 1073.
- (2010) J. Phys. Chem. Lett. , vol.1 , pp. 1073
- Kilin, D.S.¹ Micha, D.A.²

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