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Journal of Alloys and Compounds

Volumn 552, Issue , 2013, Pages 457-462

A first-principles study of hydrogen interaction and saturation on ScAl3

(2) Samolia, Madhu a Dhilip Kumar, T J a

a INDIAN INSTITUTE OF TECHNOLOGY ROPAR (India)

Author keywords

Adsorption; Catalysis; Complex metal hydrides; Density functional theory; Hydrogen storage materials

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; ALUMINUM; CARRIER CONCENTRATION; CATALYSIS; CHEMICAL BONDS; CHEMISORPTION; DISSOCIATION; ELECTRON DENSITY MEASUREMENT; HYDRIDES; HYDROGEN; HYDROGEN STORAGE; MOLECULES; PHOTODISSOCIATION; SCANDIUM COMPOUNDS;

ACTIVATION ENERGY OF H; ADSORPTION AND DESORPTIONS; COMPLEX METAL HYDRIDES; DISSOCIATIVE CHEMISORPTION; ELECTROSTATIC POTENTIALS; FIRST-PRINCIPLES STUDY; HYDROGEN INTERACTION; HYDROGENATION PROCESS;

DENSITY FUNCTIONAL THEORY;

EID: 84870983562 PISSN: 09258388 EISSN: None Source Type: Journal
DOI: 10.1016/j.jallcom.2012.10.125 Document Type: Article

Times cited : (11)

References (56)

1
- 0035891289
- L. Schlapbach, A. Züttel, Nature 414 (2001) 353.
- (2001) Nature , vol.414 , pp. 353
- Schlapbach, L.¹ Züttel, A.²

2
- 0345501391
- C. M. Jensen, K. J. Gross, J. Appl. Phys. A 72 (2001) 213.
- (2001) J. Appl. Phys. A , vol.72 , pp. 213
- Jensen, C.M.¹ Gross, K.J.²

3
- 0037122537
- K. J. Gross, G. J. Thomas, C. M. Jensen, J. Alloys Comp. 330-332 (2002) 683.
- (2002) J. Alloys Comp. , vol.330-332 , pp. 683
- Gross, K.J.¹ Thomas, G.J.² Jensen, C.M.³

4
- 9244258546
- F. Schüth, B. Bogdanović, M. Felderhoff, Chem. Commun. (2004) 2249.
- (2004) Chem. Commun. , pp. 2249
- Schüth, F.¹ Bogdanović, B.² Felderhoff, M.³

5
- 0031131078
- B. Bogdanović, M. Schiwckardi, J. Alloys Comp. 253-254 (1997) 1.
- (1997) J. Alloys Comp. , vol.253-254 , pp. 1
- Bogdanović, B.¹ Schiwckardi, M.²

6
- 0041562563
- D. L. Anton, J. Alloys Comp. 356-357 (2003) 400.
- (2003) J. Alloys Comp. , vol.356-357 , pp. 400
- Anton, D.L.¹

7
- 33646528469
- B. Bogdanović, M. Felderhoff, A. Pommerin, F. Schüth, N. Spiel Kamp, Adv. Mater. 18 (2006) 1198.
- (2006) Adv. Mater. , vol.18 , pp. 1198
- Bogdanović, B.¹ Felderhoff, M.² Pommerin, A.³ Schüth, F.⁴ Spiel Kamp, N.⁵

8
- 33746238107
- C. P. Baldé, B. P. C. Hereijgers, J. H. Bitter, K. P. De Jong, Angew. Chem. Int. Ed. 45 (2006) 3501.
- (2006) Angew. Chem. Int. Ed. , vol.45 , pp. 3501
- Baldé, C.P.¹ Hereijgers, B.P.C.² Bitter, J.H.³ De Jong, K.P.⁴

9
- 34248671153
- V. Bérubé, G. Radtke, M. Dresselhaus, G. Chen, Int. J. Energy Res. 31 (2007) 637.
- (2007) Int. J. Energy Res. , vol.31 , pp. 637
- Bérubé, V.¹ Radtke, G.² Dresselhaus, M.³ Chen, G.⁴

10
- 79952908749
- P. Jena, J. Phys. Chem. Lett. 2 (2011) 206.
- (2011) J. Phys. Chem. Lett. , vol.2 , pp. 206
- Jena, P.¹

11
- 68749116355
- H. Yang, A. Ojo, P. Ogaro, A. J. Goudy, J. Phys. Chem. C 113 (2009) 14512.
- (2009) J. Phys. Chem. C , vol.113 , pp. 14512
- Yang, H.¹ Ojo, A.² Ogaro, P.³ Goudy, A.J.⁴

12
- 77951083726
- K. Sakaki, Y. Nakamura, E. Akiba, M. T. Kuba, C. M. Jensen, J. Phys. Chem. C 114 (2010) 6869.
- (2010) J. Phys. Chem. C , vol.114 , pp. 6869
- Sakaki, K.¹ Nakamura, Y.² Akiba, E.³ Kuba, M.T.⁴ Jensen, C.M.⁵

13
- 77951898689
- G. K. Dathar, D. S. Mainardi, J. Phys. Chem. C 114 (2010) 8026.
- (2010) J. Phys. Chem. C , vol.114 , pp. 8026
- Dathar, G.K.¹ Mainardi, D.S.²

14
- 0033880009
- B. Bogdanović, R. A. Brand, A. Marjanović, M. Schwickardi, J. Tölle, J. Alloys Comp. 302 (2000) 36.
- (2000) J. Alloys Comp. , vol.302 , pp. 36
- Bogdanović, B.¹ Brand, R.A.² Marjanović, A.³ Schwickardi, M.⁴ Tölle, J.⁵

15
- 0042564655
- E. H. Majzoub, K. J. Gross, J. Alloys Comp. 356 (2003) 363.
- (2003) J. Alloys Comp. , vol.356 , pp. 363
- Majzoub, E.H.¹ Gross, K.J.²

16
- 0345374646
- C. Weidenthaler, A. Pommerin, M. Felderhoff, B. Bogdanović, F. Schüth, Phys. Chem. Chem. Phys. 5 (2003) 5149.
- (2003) Phys. Chem. Chem. Phys. , vol.5 , pp. 5149
- Weidenthaler, C.¹ Pommerin, A.² Felderhoff, M.³ Bogdanović, B.⁴ Schüth, F.⁵

17
- 3042717897
- H. W. Brinks, C. M. Jensen, S. S. Srinivasan, B. C. Hauback, D. Blanchard, K. Murphy, J. Alloys Comp. 376 (2004) 215.
- (2004) J. Alloys Comp. , vol.376 , pp. 215
- Brinks, H.W.¹ Jensen, C.M.² Srinivasan, S.S.³ Hauback, B.C.⁴ Blanchard, D.⁵ Murphy, K.⁶

18
- 4043105543
- J. Graetz, J. J. Reilly, J. Johnson, Appl. Phys. Lett. 85 (2004) 500.
- (2004) Appl. Phys. Lett. , vol.85 , pp. 500
- Graetz, J.¹ Reilly, J.J.² Johnson, J.³

19
- 16344370429
- A. G. Haiduc, H. A. Stil, M. A. Schwarz, P. Paulus, J. J. C. Geerlings, J. Alloys Comp. 393 (2005) 252.
- (2005) J. Alloys Comp. , vol.393 , pp. 252
- Haiduc, A.G.¹ Stil, H.A.² Schwarz, M.A.³ Paulus, P.⁴ Geerlings, J.J.C.⁵

20
- 24944487726
- H. W. Brinks, B. C. Hauback, S. S. Srinivasan, C. M. Jensen, J. Phys. Chem. B 109 (2005) 15780.
- (2005) J. Phys. Chem. B , vol.109 , pp. 15780
- Brinks, H.W.¹ Hauback, B.C.² Srinivasan, S.S.³ Jensen, C.M.⁴

21
- 33644586327
- A. Léon, O. Kircher, M. Fichtner, J. Rothe, D. Schild, J. Phys. Chem. B 110 (2006) 1192.
- (2006) J. Phys. Chem. B , vol.110 , pp. 1192
- Léon, A.¹ Kircher, O.² Fichtner, M.³ Rothe, J.⁴ Schild, D.⁵

22
- 33847789382
- C. P. Baldé, H. A. Stil, A. M. J. Van der Eerden, K. P. De Jong, J. H. Bitter, J. Phys. Chem. C 111 (2007) 2797.
- (2007) J. Phys. Chem. C , vol.111 , pp. 2797
- Baldé, C.P.¹ Stil, H.A.² Van Der Eerden, A.M.J.³ De Jong, K.P.⁴ Bitter, J.H.⁵

23
- 33947432440
- F. Fang, J. Zhang, J. Zhu, G. Chen, D. Sun, B. He, Z. Wei, S. Wei, J. Phys. Chem. C 111 (2007) 3476.
- (2007) J. Phys. Chem. C , vol.111 , pp. 3476
- Fang, F.¹ Zhang, J.² Zhu, J.³ Chen, G.⁴ Sun, D.⁵ He, B.⁶ Wei, Z.⁷ Wei, S.⁸

24
- 34548116577
- S. Singh, S. W. H. Eijt, J. Huot, W. A. Kockelmann, M. Wagemaker, F. M. Mulder, Acta Mater. 55 (2007) 5549.
- (2007) Acta Mater. , vol.55 , pp. 5549
- Singh, S.¹ Eijt, S.W.H.² Huot, J.³ Kockelmann, W.A.⁴ Wagemaker, M.⁵ Mulder, F.M.⁶

25
- 34248650163
- Y. Suttisawat, P. Rangsunvigit, B. Kitiyanan, N. Muangsin, S. Kulprathipanja, Int. J. Hydrogen Energy 32 (2007) 1277.
- (2007) Int. J. Hydrogen Energy , vol.32 , pp. 1277
- Suttisawat, Y.¹ Rangsunvigit, P.² Kitiyanan, B.³ Muangsin, N.⁴ Kulprathipanja, S.⁵

26
- 50649100636
- A. Léon, G. Yalovega, A. Soldatov, M. Fichtner, J. Phys. Chem. C 112 (2008) 12545.
- (2008) J. Phys. Chem. C , vol.112 , pp. 12545
- Léon, A.¹ Yalovega, G.² Soldatov, A.³ Fichtner, M.⁴

27
- 42749087536
- T. Sun, B. Zhou, H. Wang, M. Zhu, Int. J. Hydrogen Energy 33 (2008) 2260.
- (2008) Int. J. Hydrogen Energy , vol.33 , pp. 2260
- Sun, T.¹ Zhou, B.² Wang, H.³ Zhu, M.⁴

28
- 67649259213
- C. Wan, X. Ju, Y. Qi, Y. Zhang, S. Wang, X. Liu, L. Jiang, J. Alloys Comp. 481 (2009) 60.
- (2009) J. Alloys Comp. , vol.481 , pp. 60
- Wan, C.¹ Ju, X.² Qi, Y.³ Zhang, Y.⁴ Wang, S.⁵ Liu, X.⁶ Jiang, L.⁷

29
- 80051600478
- X. L. Fan, X. Z. Xiao, L. X. Chen, L. Y. Han, S. Q. Li, H. W. Ge, Q. D. Wang, Int. J. Hydrogen Energy 36 (2011) 10861;
- (2011) Int. J. Hydrogen Energy , vol.36 , pp. 10861
- Fan, X.L.¹ Xiao, X.Z.² Chen, L.X.³ Han, L.Y.⁴ Li, S.Q.⁵ Ge, H.W.⁶ Wang, Q.D.⁷

30
- 80955131903
- X. L. Fan, X. Z. Xiao, L. X. Chen, L. Y. Han, S. Q. Li, H. W. Ge, Q. D. Wang, J. Phys. Chem. C 115 (2011) 22680.
- (2011) J. Phys. Chem. C , vol.115 , pp. 22680
- Fan, X.L.¹ Xiao, X.Z.² Chen, L.X.³ Han, L.Y.⁴ Li, S.Q.⁵ Ge, H.W.⁶ Wang, Q.D.⁷

31
- 79958103434
- M. P. Pitt, M. Paskevicius, C. J. Webb, M. H. Sørby, S. Delleda, T. R. Jensen, B. C. Hauback, C. E. Buckley, E. M. Gray, Int. J. Hydrogen Energy 36 (2011) 8403.
- (2011) Int. J. Hydrogen Energy , vol.36 , pp. 8403
- Pitt, M.P.¹ Paskevicius, M.² Webb, C.J.³ Sørby, M.H.⁴ Delleda, S.⁵ Jensen, T.R.⁶ Hauback, B.C.⁷ Buckley, C.E.⁸ Gray, E.M.⁹

32
- 79251643059
- S. Zhang, C. Lu, N. Takeichi, T. Kiyobayashi, Int. J. Hydrogen Energy 36 (2011) 634.
- (2011) Int. J. Hydrogen Energy , vol.36 , pp. 634
- Zhang, S.¹ Lu, C.² Takeichi, N.³ Kiyobayashi, T.⁴

33
- 78149284598
- P. E. Vullum, M. P. Pitt, J. C. Walmsley, B. C. Hauback, R. Holmestad, J. Alloys Comp. 509 (2011) 281.
- (2011) J. Alloys Comp. , vol.509 , pp. 281
- Vullum, P.E.¹ Pitt, M.P.² Walmsley, J.C.³ Hauback, B.C.⁴ Holmestad, R.⁵

34
- 79959822919
- M. H. W. Verkuijlen, P. J. M. Van Bentum, O. Zabara, M. Fichtner, A. P. M. Kentgens, J. Phys. Chem. C 115 (2011) 13100.
- (2011) J. Phys. Chem. C , vol.115 , pp. 13100
- Verkuijlen, M.H.W.¹ Van Bentum, P.J.M.² Zabara, O.³ Fichtner, M.⁴ Kentgens, A.P.M.⁵

35
- 84858959578
- M. P. Pitt, P. E. Vullum, M. H. Sorby, H. Emerich, M. Paskevicius, C. E. Buckley, E. M. Gray, J. C. Walmsley, R. Holmestad, B. C. Hauback, J. Alloy Comp. 527 (2012) 16.
- (2012) J. Alloy Comp. , vol.527 , pp. 16
- Pitt, M.P.¹ Vullum, P.E.² Sorby, M.H.³ Emerich, H.⁴ Paskevicius, M.⁵ Buckley, C.E.⁶ Gray, E.M.⁷ Walmsley, J.C.⁸ Holmestad, R.⁹ Hauback, B.C.¹⁰

36
- 84862201441
- X. Liu, S. D. Beattie, H. W. Langmi, G. S. McGrady, C. M. Jensen, Int. J. Hydrogen Energy 37 (2012) 10215.
- (2012) Int. J. Hydrogen Energy , vol.37 , pp. 10215
- Liu, X.¹ Beattie, S.D.² Langmi, H.W.³ McGrady, G.S.⁴ Jensen, C.M.⁵

37
- 33746338235
- J. M. B. Von Colbe, W. Schmidt, M. Felderhoff, B. Bogdanović, F. Schüth, Angew. Chem. Int. Ed. 45 (2006) 3663.
- (2006) Angew. Chem. Int. Ed. , vol.45 , pp. 3663
- Von Colbe, J.M.B.¹ Schmidt, W.² Felderhoff, M.³ Bogdanović, B.⁴ Schüth, F.⁵

38
- 34250327470
- T. J. D. Kumar, P. F. Weck, N. Balakrishnan, J. Phys. Chem. C 111 (2007) 7494.
- (2007) J. Phys. Chem. C , vol.111 , pp. 7494
- Kumar, T.J.D.¹ Weck, P.F.² Balakrishnan, N.³

39
- 44349101758
- T. J. D. Kumar, P. Tarakeshwar, N. Balakrishnan, J. Chem. Phys. 128 (2008) 194714.
- (2008) J. Chem. Phys. , vol.128 , pp. 194714
- Kumar, T.J.D.¹ Tarakeshwar, P.² Balakrishnan, N.³

40
- 42649100349
- P. Tarakeshwar, T. J. D. Kumar, N. Balakrishnan, J. Phys. Chem. A 112 (2008) 2846.
- (2008) J. Phys. Chem. A , vol.112 , pp. 2846
- Tarakeshwar, P.¹ Kumar, T.J.D.² Balakrishnan, N.³

41
- 63149176654
- P. Tarakeshwar, T. J. D. Kumar, N. Balakrishnan, J. Chem. Phys. 130 (2009) 114301.
- (2009) J. Chem. Phys. , vol.130 , pp. 114301
- Tarakeshwar, P.¹ Kumar, T.J.D.² Balakrishnan, N.³

42
- 67449100746
- T. J. D. Kumar, P. Tarakeshwar, N. Balakrishnan, Phys. Rev. B 79 (2009) 205415.
- (2009) Phys. Rev. B , vol.79 , pp. 205415
- Kumar, T.J.D.¹ Tarakeshwar, P.² Balakrishnan, N.³

43
- 79952638231
- J. Liu, J. Yu, Q. Ge, J. Phys. Chem. C. 115 (2011) 2522.
- (2011) J. Phys. Chem. C. , vol.115 , pp. 2522
- Liu, J.¹ Yu, J.² Ge, Q.³

44
- 60849126720
- B. Bogdanović, M. Felderhoff, A. Pommerin, F. Schüth, N. Spielkamp, A. Stark, J. Alloys Comp. 471 (2009) 383.
- (2009) J. Alloys Comp. , vol.471 , pp. 383
- Bogdanović, B.¹ Felderhoff, M.² Pommerin, A.³ Schüth, F.⁴ Spielkamp, N.⁵ Stark, A.⁶

45
- 35148860313
- J. Liu, Q. Ge, J. Alloys Comp. 446-447 (2007) 267.
- (2007) J. Alloys Comp. , vol.446-447 , pp. 267
- Liu, J.¹ Ge, Q.²

46
- 79551641629
- H. Wang, A. Tezuka, H. Ogawa, T. Ikeshoji, Phys. Rev. B 83 (2011) 045112.
- (2011) Phys. Rev. B , vol.83 , pp. 045112
- Wang, H.¹ Tezuka, A.² Ogawa, H.³ Ikeshoji, T.⁴

48
- 33645898818
- J. P. Perdew, Y. Wang, Phys. Rev. B 45 (1992) 13244.
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

49
- 34447260582
- B. Delley, J. Chem. Phys. 92 (1990) 508;
- (1990) J. Chem. Phys. , vol.92 , pp. 508
- Delley, B.¹

50
- 0034319689
- DMOL3 is available as part of MATERIAL STUDIO
- B. Delley, J. Chem. Phys. 113 (2000) 7756. DMOL3 is available as part of MATERIAL STUDIO.
- (2000) J. Chem. Phys. , vol.113 , pp. 7756
- Delley, B.¹

51
- 0000383067
- R. S. Ram, P. F. Bernath, J. Chem. Phys. 105 (1996) 2668.
- (1996) J. Chem. Phys. , vol.105 , pp. 2668
- Ram, R.S.¹ Bernath, P.F.²

52
- 0003877758
- 88th ed., CRC Press, Boca Raton, FL
- D. R. Lide, CRC Handbook of Chemistry and Physics, 88th ed., CRC Press, Boca Raton, FL, 2007-2008.
- (2007) CRC Handbook of Chemistry and Physics
- Lide, D.R.¹

53
- 34547187613
- J. Paier, M. Marsman, G. Kresse, J. Chem. Phys. 127 (2007) 024103.
- (2007) J. Chem. Phys. , vol.127 , pp. 024103
- Paier, J.¹ Marsman, M.² Kresse, G.³

54
- 0040668413
- G. J. Kubas, Acc. Chem. Res. 21 (1988) 120.
- (1988) Acc. Chem. Res. , vol.21 , pp. 120
- Kubas, G.J.¹

55
- 0002511235
- G. J. Kubas, J. Organomet. Chem. 635 (2001) 37.
- (2001) J. Organomet. Chem. , vol.635 , pp. 37
- Kubas, G.J.¹

56
- 0001149392
- T. A. Halgren, W. N. Lipscomb, Chem. Phys. Lett. 49 (1977) 225.
- (1977) Chem. Phys. Lett. , vol.49 , pp. 225
- Halgren, T.A.¹ Lipscomb, W.N.²

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