SCOPUS 정보 검색 플랫폼

Superlattices and Microstructures

Volumn 75, Issue , 2014, Pages 17-26

Efficient dehydrogenation of formic acid using Al12N 12 nanocage: A DFT study

(2) Esrafili, Mehdi D a Nurazar, Roghaye a

a UNIVERSITY OF MARAGHEH (Iran)

Author keywords

Decomposition; DFT; Formic acid; Mechanism

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; ALUMINUM; CARBON DIOXIDE; CHEMICAL BONDS; DECOMPOSITION; DISSOCIATION; MECHANISMS; FORMIC ACID;

ACTIVATION BARRIERS; ADSORPTION MODES; CH-BOND ACTIVATION; DFT; DISSOCIATIVE ADSORPTION; RATE DETERMINING STEP; REACTION ENERGY; THREE REACTION PATHWAYS; DFT STUDY; NANOCAGES;

FORMIC ACID; DECOMPOSITION;

EID: 84905370282 PISSN: 07496036 EISSN: 10963677 Source Type: Journal
DOI: 10.1016/j.spmi.2014.07.007 Document Type: Article

Times cited : (21)

References (50)

1
- 0035891289
- L. Schlapbach, and A. Zuttel Nature 414 2001 353 358
- (2001) Nature , vol.414 , pp. 353-358
- Schlapbach, L.¹ Zuttel, A.²

2
- 33846368468
- S. Satyapal, J. Petrovic, C. Read, G. Thomas, and G. Ordaz Catal. Today 120 2007 246 256
- (2007) Catal. Today , vol.120 , pp. 246-256
- Satyapal, S.¹ Petrovic, J.² Read, C.³ Thomas, G.⁴ Ordaz, G.⁵

3
- 0037153131
- P. Chen, Z.T. Xiong, J.Z. Luo, J.Y. Lin, and K.L. Tan Nature 420 2002 302 304
- (2002) Nature , vol.420 , pp. 302-304
- Chen, P.¹ Xiong, Z.T.² Luo, J.Z.³ Lin, J.Y.⁴ Tan, K.L.⁵

4
- 2942555645
- W.Q. Deng, X. Xu, and W.A. Goddard Phys. Rev. Lett. 92 2004 166103
- (2004) Phys. Rev. Lett. , vol.92 , pp. 166103
- Deng, W.Q.¹ Xu, X.² Goddard, W.A.³

5
- 33846971284
- Z.X. Yang, Y.D. Xia, and R. Mokaya J. Am. Chem. Soc. 129 2007 1673 1679
- (2007) J. Am. Chem. Soc. , vol.129 , pp. 1673-1679
- Yang, Z.X.¹ Xia, Y.D.² Mokaya, R.³

6
- 35748977965
- E. Ronnebro, and E.H. Majzoub J. Phys. Chem. B 111 2007 12045 12047
- (2007) J. Phys. Chem. B , vol.111 , pp. 12045-12047
- Ronnebro, E.¹ Majzoub, E.H.²

7
- 33745204633
- J.Y. Lee, C.D. Wood, D. Bradshaw, M.J. Rosseinsky, and A.I. Cooper Chem. Commun. 2006 2670 2672
- (2006) Chem. Commun. , pp. 2670-2672
- Lee, J.Y.¹ Wood, C.D.² Bradshaw, D.³ Rosseinsky, M.J.⁴ Cooper, A.I.⁵

8
- 34147159453
- P.M. Budd, A. Butler, J. Selbie, K. Mahmood, N.B. McKeown, B. Ghanem, K. Msayib, D. Book, and A. Walton Phys. Chem. Chem. Phys. 9 2007 1802 1808
- (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 1802-1808
- Budd, P.M.¹ Butler, A.² Selbie, J.³ Mahmood, K.⁴ McKeown, N.B.⁵ Ghanem, B.⁶ Msayib, K.⁷ Book, D.⁸ Walton, A.⁹

9
- 70350008262
- F.R. García-García, J. Álvarez-Rodríguez, I. Rodríguez-Ramos, and A. Guerrero-Ruiz Carbon 48 2010 267 276
- (2010) Carbon , vol.48 , pp. 267-276
- García-García, F.R.¹ Álvarez-Rodríguez, J.² Rodríguez-Ramos, I.³ Guerrero-Ruiz, A.⁴

10
- 3242761444
- J.R. Hyde, and M. Poliakoff Chem. Commun. 2004 1482 1483
- (2004) Chem. Commun. , pp. 1482-1483
- Hyde, J.R.¹ Poliakoff, M.²

11
- 64549133435
- J. Zhang, P.G. Blazecka, M.M. Bruendl, and Y. Huang J. Org. Chem. 74 2009 1411 1414
- (2009) J. Org. Chem. , vol.74 , pp. 1411-1414
- Zhang, J.¹ Blazecka, P.G.² Bruendl, M.M.³ Huang, Y.⁴

12
- 55549118343
- B. Loges, A. Boddien, H. Junge, and M. Beller Angew. Chem. 120 2008 4026 4029
- (2008) Angew. Chem. , vol.120 , pp. 4026-4029
- Loges, B.¹ Boddien, A.² Junge, H.³ Beller, M.⁴

13
- 54449091687
- A. Boddien, B. Loges, H. Junge, and M. Beller ChemSusChem. 1 2008 751 758
- (2008) ChemSusChem. , vol.1 , pp. 751-758
- Boddien, A.¹ Loges, B.² Junge, H.³ Beller, M.⁴

14
- 77957823620
- X. Li, X. Ma, F. Shi, and Y. Deng ChemSusChem. 3 2010 71 74
- (2010) ChemSusChem. , vol.3 , pp. 71-74
- Li, X.¹ Ma, X.² Shi, F.³ Deng, Y.⁴

15
- 0032002502
- N. Akiya, and P.E. Savage AIChE J. 44 1998 405 415
- (1998) AIChE J. , vol.44 , pp. 405-415
- Akiya, N.¹ Savage, P.E.²

16
- 47949133010
- X. Zhou, Y. Huang, W. Xing, C. Liu, J. Liao, and T. Lu Chem. Commun. 30 2008 3540 3542
- (2008) Chem. Commun. , vol.30 , pp. 3540-3542
- Zhou, X.¹ Huang, Y.² Xing, W.³ Liu, C.⁴ Liao, J.⁵ Lu, T.⁶

17
- 47049088164
- B. Loges, A. Boddien, H. Junge, and M. Beller Angew. Chem. Int. Ed. 47 2008 3962 3965
- (2008) Angew. Chem. Int. Ed. , vol.47 , pp. 3962-3965
- Loges, B.¹ Boddien, A.² Junge, H.³ Beller, M.⁴

18
- 47049083045
- C. Fellay, P.J. Dyson, and G. Laurenczy Angew. Chem. Int. Ed. 47 2008 3966 3968
- (2008) Angew. Chem. Int. Ed. , vol.47 , pp. 3966-3968
- Fellay, C.¹ Dyson, P.J.² Laurenczy, G.³

19
- 78249231686
- T.P. Rieckborn, E. Huber, E. Karakoc, and M.H. Prosenc Eur. J. Inorg. Chem. 2010 4757 4761
- (2010) Eur. J. Inorg. Chem. , pp. 4757-4761
- Rieckborn, T.P.¹ Huber, E.² Karakoc, E.³ Prosenc, M.H.⁴

20
- 80053156426
- A. Boddien, D. Mellmann, F. Gärtner, R. Jackstell, H. Junge, P.J. Dyson, G. Laurenczy, R. Ludwig, and M. Beller Science 333 2011 1733 1736
- (2011) Science , vol.333 , pp. 1733-1736
- Boddien, A.¹ Mellmann, D.² Gärtner, F.³ Jackstell, R.⁴ Junge, H.⁵ Dyson, P.J.⁶ Laurenczy, G.⁷ Ludwig, R.⁸ Beller, M.⁹

21
- 84867400339
- C. Hu, S.W. Ting, K.Y. Chan, and W. Huang Int. J. Hydrogen Energy 37 2012 15956 15965
- (2012) Int. J. Hydrogen Energy , vol.37 , pp. 15956-15965
- Hu, C.¹ Ting, S.W.² Chan, K.Y.³ Huang, W.⁴

22
- 77954943581
- D.A. Bulushev, S. Beloshapkin, and J.R.H. Ross Catal. Today 154 2010 7 12
- (2010) Catal. Today , vol.154 , pp. 7-12
- Bulushev, D.A.¹ Beloshapkin, S.² Ross, J.R.H.³

23
- 47949133010
- X. Zhou, Y. Huang, W. Xing, C. Liu, J. Liao, and T. Lu Chem. Commun. 2008 3540 3542
- (2008) Chem. Commun. , pp. 3540-3542
- Zhou, X.¹ Huang, Y.² Xing, W.³ Liu, C.⁴ Liao, J.⁵ Lu, T.⁶

24
- 0031576971
- G. Seifert, P.W. Fowler, D. Mitchell, D. Porezag, and T. Frauenheim Chem. Phys. Lett. 268 1997 352 358
- (1997) Chem. Phys. Lett. , vol.268 , pp. 352-358
- Seifert, G.¹ Fowler, P.W.² Mitchell, D.³ Porezag, D.⁴ Frauenheim, T.⁵

25
- 67249102337
- O. Amelines-Sarria, and V.A. Basiuk Superlattice. Microst. 46 2009 302 305
- (2009) Superlattice. Microst. , vol.46 , pp. 302-305
- Amelines-Sarria, O.¹ Basiuk, V.A.²

26
- 84866062532
- H. Wu, X. Fan, and J.L. Kuo Int. J. Hydrogen Energy 37 2012 14336 14342
- (2012) Int. J. Hydrogen Energy , vol.37 , pp. 14336-14342
- Wu, H.¹ Fan, X.² Kuo, J.L.³

27
- 0001418889
- D. Golberg, Y. Bando, O. Stephan, and K. Kurashima Appl. Phys. Lett. 73 1998 2441 2443
- (1998) Appl. Phys. Lett. , vol.73 , pp. 2441-2443
- Golberg, D.¹ Bando, Y.² Stephan, O.³ Kurashima, K.⁴

28
- 75649103550
- H.Y. Wu, X.F. Fan, J.L. Kuo, and W.Q. Deng Chem. Commun. 46 2010 883 885
- (2010) Chem. Commun. , vol.46 , pp. 883-885
- Wu, H.Y.¹ Fan, X.F.² Kuo, J.L.³ Deng, W.Q.⁴

29
- 84892720204
- M.D. Esrafili, and R. Nurazar Superlattice. Microst. 67 2014 54 60
- (2014) Superlattice. Microst. , vol.67 , pp. 54-60
- Esrafili, M.D.¹ Nurazar, R.²

30
- 84902845752
- M.D. Esrafili, and R. Nurazar Comp. Mater. Sci. 92 2014 172 177
- (2014) Comp. Mater. Sci. , vol.92 , pp. 172-177
- Esrafili, M.D.¹ Nurazar, R.²

31
- 84901745212
- M.D. Esrafili, and R. Nurazar Surf. Sci. 626 2014 44 48
- (2014) Surf. Sci. , vol.626 , pp. 44-48
- Esrafili, M.D.¹ Nurazar, R.²

32
- 77956873629
- J. Beheshtian, H. Behzadi, M.D. Esrafili, B.B. Shirvani, and N.L. Hadipour Struct. Chem. 21 2010 903 908
- (2010) Struct. Chem. , vol.21 , pp. 903-908
- Beheshtian, J.¹ Behzadi, H.² Esrafili, M.D.³ Shirvani, B.B.⁴ Hadipour, N.L.⁵

33
- 84878873182
- M.D. Esrafili, and H. Behzadi Struct. Chem. 24 2013 573 581
- (2013) Struct. Chem. , vol.24 , pp. 573-581
- Esrafili, M.D.¹ Behzadi, H.²

34
- 33644880881
- Q. Wang, A.K. Kandalam, Q. Sun, and P. Jena Phys. Rev. B 73 2006 115411-1 115411-7
- (2006) Phys. Rev. B , vol.73 , pp. 1154111-1154117
- Wang, Q.¹ Kandalam, A.K.² Sun, Q.³ Jena, P.⁴

35
- 56649092802
- S.H. Lim, and J. Lin Chem. Phys. Lett. 466 2008 197 204
- (2008) Chem. Phys. Lett. , vol.466 , pp. 197-204
- Lim, S.H.¹ Lin, J.²

36
- 78649314680
- Y. Jiao, A. Du, Z. Zhu, V. Rudolph, and S.C. Smith J. Mater. Chem. 20 2010 10426 10430
- (2010) J. Mater. Chem. , vol.20 , pp. 10426-10430
- Jiao, Y.¹ Du, A.² Zhu, Z.³ Rudolph, V.⁴ Smith, S.C.⁵

37
- 84878883339
- A. Mahdaviani, M.D. Esrafili, A. Esrafili, and H. Behzadi Physica E 53 2013 161 167
- (2013) Physica e , vol.53 , pp. 161-167
- Mahdaviani, A.¹ Esrafili, M.D.² Esrafili, A.³ Behzadi, H.⁴

38
- 34547123924
- C. Liu, Z. Hu, Q. Wu, X. Wang, Y. Chen, and J. Zhu J. Nanoelectron. Optoelectron. 1 2006 114 118
- (2006) J. Nanoelectron. Optoelectron. , vol.1 , pp. 114-118
- Liu, C.¹ Hu, Z.² Wu, Q.³ Wang, X.⁴ Chen, Y.⁵ Zhu, J.⁶

39
- 42749085765
- Y.L. Li, C.Y. Shi, J.J. Li, and C.Z. Gu Appl. Surf. Sci. 254 2008 4840 4844
- (2008) Appl. Surf. Sci. , vol.254 , pp. 4840-4844
- Li, Y.L.¹ Shi, C.Y.² Li, J.J.³ Gu, C.Z.⁴

40
- 0037426779
- H.S. Wu, F.Q. Zhang, X.H. Xu, C.J. Zhang, and H. Jiao J. Phys. Chem. A 107 2003 204 209
- (2003) J. Phys. Chem. A , vol.107 , pp. 204-209
- Wu, H.S.¹ Zhang, F.Q.² Xu, X.H.³ Zhang, C.J.⁴ Jiao, H.⁵

41
- 65249170837
- Q. Wang, Q. Sun, P. Jena, and Y. Kawazoe ACS Nano 3 2009 621 626
- (2009) ACS Nano , vol.3 , pp. 621-626
- Wang, Q.¹ Sun, Q.² Jena, P.³ Kawazoe, Y.⁴

42
- 84893169025
- M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis, and J.A. Montgomery J. Comput. Chem. 14 1993 1347 1363
- (1993) J. Comput. Chem. , vol.14 , pp. 1347-1363
- Schmidt, M.W.¹ Baldridge, K.K.² Boatz, J.A.³ Elbert, S.T.⁴ Gordon, M.S.⁵ Jensen, J.H.⁶ Koseki, S.⁷ Matsunaga, N.⁸ Nguyen, K.A.⁹ Su, S.J.¹⁰ Windus, T.L.¹¹ Dupuis, M.¹² Montgomery, J.A.¹³

43
- 27344452533
- Y. Zhao, N.E. Schultz, and D.G. Truhlar J. Chem. Phys. 123 2005 161103
- (2005) J. Chem. Phys. , vol.123 , pp. 161103
- Zhao, Y.¹ Schultz, N.E.² Truhlar, D.G.³

44
- 40549127108
- Y. Zhao, and D.G. Truhlar Acc. Chem. Res. 41 2008 157 167
- (2008) Acc. Chem. Res. , vol.41 , pp. 157-167
- Zhao, Y.¹ Truhlar, D.G.²

45
- 0011083499
- A.E. Reed, L.A. Curtiss, and F. Weinhold Chem. Rev. 88 1988 899 926
- (1988) Chem. Rev. , vol.88 , pp. 899-926
- Reed, A.E.¹ Curtiss, L.A.² Weinhold, F.³

46
- 84862817078
- Y. Chen, H.X. Wang, J.-X. Zhao, X.G. Wang, Q.H. Cai, Y.H. Ding, and X.Z. Wang J. Nanopart. Res. 14 2012 675 685
- (2012) J. Nanopart. Res. , vol.14 , pp. 675-685
- Chen, Y.¹ Wang, H.X.² Zhao, J.-X.³ Wang, X.G.⁴ Cai, Q.H.⁵ Ding, Y.H.⁶ Wang, X.Z.⁷

47
- 84862258367
- J. Beheshtian, Z. Bagheri, M. Kamfiroozi, and A. Ahmadi J. Mol. Model. 18 2012 2653 2658
- (2012) J. Mol. Model. , vol.18 , pp. 2653-2658
- Beheshtian, J.¹ Bagheri, Z.² Kamfiroozi, M.³ Ahmadi, A.⁴

48
- 79958849925
- S. Zhou, C. Qian, and X. Chen Catal. Lett. 141 2011 726 734
- (2011) Catal. Lett. , vol.141 , pp. 726-734
- Zhou, S.¹ Qian, C.² Chen, X.³

49
- 0001205611
- M.R. Columbia, A.M. Crabtree, and P.A. Thiel J. Am. Chem. Soc. 114 1992 1231 1237
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 1231-1237
- Columbia, M.R.¹ Crabtree, A.M.² Thiel, P.A.³

50
- 0026238611
- J.L. Davis, and M.A. Barteau Surf. Sci. 256 1991 50 66
- (1991) Surf. Sci. , vol.256 , pp. 50-66
- Davis, J.L.¹ Barteau, M.A.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.