SCOPUS 정보 검색 플랫폼

Nanoscale

Volumn 5, Issue 15, 2013, Pages 6662-6676

Atomistic modelling of CVD synthesis of carbon nanotubes and graphene

(5) Elliott, James A a Shibuta, Yasushi b Amara, Hakim c Bichara, Christophe d Neyts, Erik C e

a UNIVERSITY OF CAMBRIDGE (United Kingdom)

b UNIVERSITY OF TOKYO (Japan)

c Centre National de la Recherche Scientifique (France)

d AIX MARSEILLE UNIVERSITÉ (France)

e UNIVERSITY OF ANTWERP (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS CARBON; CARBON NANOTUBES; CHEMICAL VAPOR DEPOSITION; METAL NANOPARTICLES; MOLECULAR ORBITALS; NANOTUBES; NICKEL; NUCLEATION; PLASMA CVD; PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION; PROCESS CONTROL; QUALITY CONTROL; STEREOCHEMISTRY; SURFACE DEFECTS; YARN;

CATALYST NANO PARTICLES; CATALYTIC CHEMICAL VAPOUR DEPOSITION; FORCE FIELD CALCULATIONS; HETEROGENEOUS NUCLEATION; MODELLING TECHNIQUES; PLASMAENHANCED CVD (PECVD); SEMI-EMPIRICAL MOLECULAR ORBITAL THEORY; THERMODYNAMICALLY STABLE;

GRAPHENE;

EID: 84884128120 PISSN: 20403364 EISSN: 20403372 Source Type: Journal
DOI: 10.1039/c3nr01925j Document Type: Article

Times cited : (91)

References (157)

1
- 0030846661
- C. Journet, W. K. Maser, P. Bernier, A. Loiseau, M. L. delaChapelle, S. Lefrant, P. Deniard, R. Lee and J. E. Fischer, Nature, 1997, 388, 756-758.
- (1997) Nature , vol.388 , pp. 756-758
- Journet, C.¹ Maser, W.K.² Bernier, P.³ Loiseau, A.⁴ DelaChapelle, M.L.⁵ Lefrant, S.⁶ Deniard, P.⁷ Lee, R.⁸ Fischer, J.E.⁹

2
- 49649131891
- R. T. K. Baker, M. A. Barber, R. J. Waite, P. S. Harris and F. S. Feates, J. Catal., 1972, 26, 51-62.
- (1972) J. Catal. , vol.26 , pp. 51-62
- Baker, R.T.K.¹ Barber, M.A.² Waite, R.J.³ Harris, P.S.⁴ Feates, F.S.⁵

3
- 28044470516
- G. Y. Zhang, D. Mann, L. Zhang, A. Javey, Y. M. Li, E. Yenilmez, Q. Wang, J. P. McVittie, Y. Nishi, J. Gibbons and H. J. Dai, Proc. Natl. Acad. Sci. U. S. A., 2005, 102, 16141-16145.
- (2005) Proc. Natl. Acad. Sci. U. S. A. , vol.102 , pp. 16141-16145
- Zhang, G.Y.¹ Mann, D.² Zhang, L.³ Javey, A.⁴ Li, Y.M.⁵ Yenilmez, E.⁶ Wang, Q.⁷ McVittie, J.P.⁸ Nishi, Y.⁹ Gibbons, J.¹⁰ Dai, H.J.¹¹

4
- 0742321831
- Y. Murakami, S. Chiashi, Y. Miyauchi, M. H. Hu, M. Ogura, T. Okubo and S. Maruyama, Chem. Phys. Lett., 2004, 385, 298-303.
- (2004) Chem. Phys. Lett. , vol.385 , pp. 298-303
- Murakami, Y.¹ Chiashi, S.² Miyauchi, Y.³ Hu, M.H.⁴ Ogura, M.⁵ Okubo, T.⁶ Maruyama, S.⁷

5
- 38349010560
- A. A. Puretzky, G. Eres, C. M. Rouleau, I. N. Ivanov and D. B. Geohegan, Nanotechnology, 2008, 19, 055605.
- (2008) Nanotechnology , vol.19 , pp. 055605
- Puretzky, A.A.¹ Eres, G.² Rouleau, C.M.³ Ivanov, I.N.⁴ Geohegan, D.B.⁵

6
- 61649117000
- P. B. Amama, C. L. Pint, L. McJilton, S. M. Kim, E. A. Stach, P. T. Murray, R. H. Hauge and B. Maruyama, Nano Lett., 2009, 9, 44-49.
- (2009) Nano Lett. , vol.9 , pp. 44-49
- Amama, P.B.¹ Pint, C.L.² McJilton, L.³ Kim, S.M.⁴ Stach, E.A.⁵ Murray, P.T.⁶ Hauge, R.H.⁷ Maruyama, B.⁸

7
- 27344445783
- C. P. Deck and K. Vecchio, Carbon, 2006, 44, 267-275.
- (2006) Carbon , vol.44 , pp. 267-275
- Deck, C.P.¹ Vecchio, K.²

8
- 33846352494
- D. Takagi, Y. Homma, H. Hibino, S. Suzuki and Y. Kobayashi, Nano Lett., 2006, 6, 2642-2645.
- (2006) Nano Lett. , vol.6 , pp. 2642-2645
- Takagi, D.¹ Homma, Y.² Hibino, H.³ Suzuki, S.⁴ Kobayashi, Y.⁵

9
- 34548145206
- D. Takagi, H. Hibino, S. Suzuki, Y. Kobayashi and Y. Homma, Nano Lett., 2007, 7, 2272-2275.
- (2007) Nano Lett. , vol.7 , pp. 2272-2275
- Takagi, D.¹ Hibino, H.² Suzuki, S.³ Kobayashi, Y.⁴ Homma, Y.⁵

10
- 66749119012
- X. S. Li, W. W. Cai, J. H. An, S. Kim, J. Nah, D. X. Yang, R. Piner, A. Velamakanni, I. Jung, E. Tutuc, S. K. Banerjee, L. Colombo and R. S. Ruoff, Science, 2009, 324, 1312-1314.
- (2009) Science , vol.324 , pp. 1312-1314
- Li, X.S.¹ Cai, W.W.² An, J.H.³ Kim, S.⁴ Nah, J.⁵ Yang, D.X.⁶ Piner, R.⁷ Velamakanni, A.⁸ Jung, I.⁹ Tutuc, E.¹⁰ Banerjee, S.K.¹¹ Colombo, L.¹² Ruoff, R.S.¹³

11
- 33745756392
- M. Cantoro, S. Hofmann, S. Pisana, V. Scardaci, A. Parvez, C. Ducati, A. C. Ferrari, A. M. Blackburn, K. Y. Wang and J. Robertson, Nano Lett., 2006, 6, 1107-1112.
- (2006) Nano Lett. , vol.6 , pp. 1107-1112
- Cantoro, M.¹ Hofmann, S.² Pisana, S.³ Scardaci, V.⁴ Parvez, A.⁵ Ducati, C.⁶ Ferrari, A.C.⁷ Blackburn, A.M.⁸ Wang, K.Y.⁹ Robertson, J.¹⁰

12
- 33751267299
- C. Lu and J. Liu, J. Phys. Chem. B, 2006, 110, 20254-20257.
- (2006) J. Phys. Chem. B , vol.110 , pp. 20254-20257
- Lu, C.¹ Liu, J.²

13
- 33646554835
- T. Hiraoka, S. Bandow, H. Shinohara and S. Iijima, Carbon, 2006, 44, 1853-1859.
- (2006) Carbon , vol.44 , pp. 1853-1859
- Hiraoka, T.¹ Bandow, S.² Shinohara, H.³ Iijima, S.⁴

14
- 80052562512
- W. Zhang, P. Wu, Z. Li and J. Yang, J. Phys. Chem. C, 2011, 115, 17782-17787.
- (2011) J. Phys. Chem. C , vol.115 , pp. 17782-17787
- Zhang, W.¹ Wu, P.² Li, Z.³ Yang, J.⁴

15
- 84870435987
- H. Mehdipour and K. Ostrikov, ACS Nano, 2012, 6, 10276-10286.
- (2012) ACS Nano , vol.6 , pp. 10276-10286
- Mehdipour, H.¹ Ostrikov, K.²

16
- 84860356363
- H. Kim, C. Mattevi, M. R. Calvo, J. C. Oberg, L. Artiglia, S. Agnoli, C. F. Hirjibehedin, M. Chhowalla and E. Saiz, ACS Nano, 2012, 6, 3614-3623.
- (2012) ACS Nano , vol.6 , pp. 3614-3623
- Kim, H.¹ Mattevi, C.² Calvo, M.R.³ Oberg, J.C.⁴ Artiglia, L.⁵ Agnoli, S.⁶ Hirjibehedin, C.F.⁷ Chhowalla, M.⁸ Saiz, E.⁹

17
- 33947428833
- G. F. Zhong, T. Iwasaki, J. Robertson and H. Kawarada, J. Phys. Chem. B, 2007, 111, 1907-1910.
- (2007) J. Phys. Chem. B , vol.111 , pp. 1907-1910
- Zhong, G.F.¹ Iwasaki, T.² Robertson, J.³ Kawarada, H.⁴

18
- 84860386751
- G. Zhong, J. H. Warner, M. Fouquet, A. W. Robertson, B. Chen and J. Robertson, ACS Nano, 2012, 6, 2893-2903.
- (2012) ACS Nano , vol.6 , pp. 2893-2903
- Zhong, G.¹ Warner, J.H.² Fouquet, M.³ Robertson, A.W.⁴ Chen, B.⁵ Robertson, J.⁶

19
- 8844263043
- K. Hata, D. N. Futaba, K. Mizuno, T. Namai, M. Yumura and S. Iijima, Science, 2004, 306, 1362-1364.
- (2004) Science , vol.306 , pp. 1362-1364
- Hata, K.¹ Futaba, D.N.² Mizuno, K.³ Namai, T.⁴ Yumura, M.⁵ Iijima, S.⁶

20
- 0041691415
- S. M. Bachilo, L. Balzano, J. E. Herrera, F. Pompeo, D. E. Resasco and R. B. Weisman, J. Am. Chem. Soc., 2003, 125, 11186-11187.
- (2003) J. Am. Chem. Soc. , vol.125 , pp. 11186-11187
- Bachilo, S.M.¹ Balzano, L.² Herrera, J.E.³ Pompeo, F.⁴ Resasco, D.E.⁵ Weisman, R.B.⁶

21
- 70350573448
- W. H. Chiang and R. M. Sankaran, Nat. Mater., 2009, 8, 882-886.
- (2009) Nat. Mater. , vol.8 , pp. 882-886
- Chiang, W.H.¹ Sankaran, R.M.²

22
- 77957719156
- M. He, A. I. Chernov, P. V. Fedotov, E. D. Obraztsova, J. Sainio, E. Rikkinen, H. Jiang, Z. Zhu, Y. Tian, E. I. Kauppinen, M. Niemela and A. O. I. Krauset, J. Am. Chem. Soc., 2010, 132, 13994-13996.
- (2010) J. Am. Chem. Soc. , vol.132 , pp. 13994-13996
- He, M.¹ Chernov, A.I.² Fedotov, P.V.³ Obraztsova, E.D.⁴ Sainio, J.⁵ Rikkinen, E.⁶ Jiang, H.⁷ Zhu, Z.⁸ Tian, Y.⁹ Kauppinen, E.I.¹⁰ Niemela, M.¹¹ Krauset, A.O.I.¹²

23
- 84862214524
- M. Fouquet, B. C. Bayer, S. Esconjauregui, R. Blume, J. H. Warner, S. Hoffmann, R. Schlogl, C. Thomsen and J. Robertson, Phys. Rev. B: Condens. Matter Mater. Phys., 2012, 85, 235411.
- (2012) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.85 , pp. 235411
- Fouquet, M.¹ Bayer, B.C.² Esconjauregui, S.³ Blume, R.⁴ Warner, J.H.⁵ Hoffmann, S.⁶ Schlogl, R.⁷ Thomsen, C.⁸ Robertson, J.⁹

24
- 84876523250
- M. S. He, H. Jiang, B. L. Liu, P. V. Fedotov, A. I. Chernov, E. D. Obraztsova, F. Cavalca, J. B. Wagner, T. W. Hansen, I. V. Anoshkin, E. A. Obraztsova, A. V. Belkin, E. Sairanen, A. G. Nasibulin, J. Lehtonen and E. I. Kauppinen, Sci. Rep., 2013, 3, 1460.
- (2013) Sci. Rep. , vol.3 , pp. 1460
- He, M.S.¹ Jiang, H.² Liu, B.L.³ Fedotov, P.V.⁴ Chernov, A.I.⁵ Obraztsova, E.D.⁶ Cavalca, F.⁷ Wagner, J.B.⁸ Hansen, T.W.⁹ Anoshkin, I.V.¹⁰ Obraztsova, E.A.¹¹ Belkin, A.V.¹² Sairanen, E.¹³ Nasibulin, A.G.¹⁴ Lehtonen, J.¹⁵ Kauppinen, E.I.¹⁶

25
- 84872400353
- E. C. Neyts, J. Vac. Sci. Technol., B: Nanotechnol. Microelectron.: Mater., Process., Meas., Phenom., 2012, 30, 030803.
- (2012) J. Vac. Sci. Technol., B: Nanotechnol. Microelectron.: Mater., Process., Meas., Phenom. , vol.30 , pp. 030803
- Neyts, E.C.¹

26
- 0041840312
- S. Hofmann, C. Ducati, J. Robertson and B. Kleinsorge, Appl. Phys. Lett., 2003, 83, 135-137.
- (2003) Appl. Phys. Lett. , vol.83 , pp. 135-137
- Hofmann, S.¹ Ducati, C.² Robertson, J.³ Kleinsorge, B.⁴

27
- 0347477184
- S. Hofmann, C. Ducati, B. Kleinsorge and J. Robertson, Appl. Phys. Lett., 2003, 83, 4661-4663.
- (2003) Appl. Phys. Lett. , vol.83 , pp. 4661-4663
- Hofmann, S.¹ Ducati, C.² Kleinsorge, B.³ Robertson, J.⁴

28
- 2442610676
- S. Hofmann, B. Kleinsorge, C. Ducati, A. C. Ferrari and J. Robertson, Diamond Relat. Mater., 2004, 13, 1171-1176.
- (2004) Diamond Relat. Mater. , vol.13 , pp. 1171-1176
- Hofmann, S.¹ Kleinsorge, B.² Ducati, C.³ Ferrari, A.C.⁴ Robertson, J.⁵

29
- 0242678302
- T. Kato, G. H. Jeong, T. Hirata, R. Hatakeyama, K. Tohji and K. Motomiya, Chem. Phys. Lett., 2003, 381, 422-426.
- (2003) Chem. Phys. Lett. , vol.381 , pp. 422-426
- Kato, T.¹ Jeong, G.H.² Hirata, T.³ Hatakeyama, R.⁴ Tohji, K.⁵ Motomiya, K.⁶

30
- 33845571972
- T. Kato and R. Hatakeyama, Chem. Vap. Deposition, 2006, 12, 345-352.
- (2006) Chem. Vap. Deposition , vol.12 , pp. 345-352
- Kato, T.¹ Hatakeyama, R.²

31
- 84855932749
- E. C. Neyts, A. C. T. van Duin and A. Bogaerts, J. Am. Chem. Soc., 2012, 134, 1256-1260.
- (2012) J. Am. Chem. Soc. , vol.134 , pp. 1256-1260
- Neyts, E.C.¹ Van Duin, A.C.T.² Bogaerts, A.³

32
- 33645845141
- S. Reich, L. Li and J. Robertson, Chem. Phys. Lett., 2006, 421, 469-472.
- (2006) Chem. Phys. Lett. , vol.421 , pp. 469-472
- Reich, S.¹ Li, L.² Robertson, J.³

33
- 79551585816
- Y. Shibuta, Diamond Relat. Mater., 2011, 20, 334-338.
- (2011) Diamond Relat. Mater. , vol.20 , pp. 334-338
- Shibuta, Y.¹

34
- 77954626545
- Z. Ghorannevis, T. Kato, T. Kaneko and R. Hatakeyama, J. Am. Chem. Soc., 2010, 132, 9570-9572.
- (2010) J. Am. Chem. Soc. , vol.132 , pp. 9570-9572
- Ghorannevis, Z.¹ Kato, T.² Kaneko, T.³ Hatakeyama, R.⁴

35
- 33751000466
- G. Y. Zhang, P. F. Qi, X. R. Wang, Y. R. Lu, X. L. Li, R. Tu, S. Bangsaruntip, D. Mann, L. Zhang and H. J. Dai, Science, 2006, 314, 974-977.
- (2006) Science , vol.314 , pp. 974-977
- Zhang, G.Y.¹ Qi, P.F.² Wang, X.R.³ Lu, Y.R.⁴ Li, X.L.⁵ Tu, R.⁶ Bangsaruntip, S.⁷ Mann, D.⁸ Zhang, L.⁹ Dai, H.J.¹⁰

36
- 84873438174
- E. C. Neyts, K. Ostrikov, Z. J. Han, S. Kumar, A. C. T. Van Duin and A. Bogaerts, Phys. Rev. Lett., 2013, 110, 065501.
- (2013) Phys. Rev. Lett. , vol.110 , pp. 065501
- Neyts, E.C.¹ Ostrikov, K.² Han, Z.J.³ Kumar, S.⁴ Van Duin, A.C.T.⁵ Bogaerts, A.⁶

37
- 60749107706
- A. Reina, X. T. Jia, J. Ho, D. Nezich, H. B. Son, V. Bulovic, M. S. Dresselhaus and J. Kong, Nano Lett., 2009, 9, 30-35.
- (2009) Nano Lett. , vol.9 , pp. 30-35
- Reina, A.¹ Jia, X.T.² Ho, J.³ Nezich, D.⁴ Son, H.B.⁵ Bulovic, V.⁶ Dresselhaus, M.S.⁷ Kong, J.⁸

38
- 77956430820
- S. Bae, H. Kim, Y. Lee, X. F. Xu, J. S. Park, Y. Zheng, J. Balakrishnan, T. Lei, H. R. Kim, Y. I. Song, Y. J. Kim, K. S. Kim, B. Ozyilmaz, J. H. Ahn, B. H. Hong and S. Iijima, Nat. Nanotechnol., 2010, 5, 574-578.
- (2010) Nat. Nanotechnol. , vol.5 , pp. 574-578
- Bae, S.¹ Kim, H.² Lee, Y.³ Xu, X.F.⁴ Park, J.S.⁵ Zheng, Y.⁶ Balakrishnan, J.⁷ Lei, T.⁸ Kim, H.R.⁹ Song, Y.I.¹⁰ Kim, Y.J.¹¹ Kim, K.S.¹² Ozyilmaz, B.¹³ Ahn, J.H.¹⁴ Hong, B.H.¹⁵ Iijima, S.¹⁶

39
- 77956398813
- K. K. K. Koziol, C. Ducati and A. H. Windle, Chem. Mater., 2010, 22, 4904-4911.
- (2010) Chem. Mater. , vol.22 , pp. 4904-4911
- Koziol, K.K.K.¹ Ducati, C.² Windle, A.H.³

40
- 33846116009
- M. S. Arnold, A. A. Green, J. F. Hulvat, S. I. Stupp and M. C. Hersam, Nat. Nanotechnol., 2006, 1, 60-65.
- (2006) Nat. Nanotechnol. , vol.1 , pp. 60-65
- Arnold, M.S.¹ Green, A.A.² Hulvat, J.F.³ Stupp, S.I.⁴ Hersam, M.C.⁵

41
- 46749136727
- M. C. Hersam, Nat. Nanotechnol., 2008, 3, 387-394.
- (2008) Nat. Nanotechnol. , vol.3 , pp. 387-394
- Hersam, M.C.¹

42
- 23444440810
- A. C. Dupuis, Prog. Mater. Sci., 2005, 50, 929-961.
- (2005) Prog. Mater. Sci. , vol.50 , pp. 929-961
- Dupuis, A.C.¹

43
- 77951606185
- F. Banhart, Nanoscale, 2009, 1, 201-213.
- (2009) Nanoscale , vol.1 , pp. 201-213
- Banhart, F.¹

44
- 70350590838
- S. Irle, Y. Ohta, Y. Okamoto, A. J. Page, Y. Wang and K. Morokuma, Nano Res., 2009, 2, 755-767.
- (2009) Nano Res. , vol.2 , pp. 755-767
- Irle, S.¹ Ohta, Y.² Okamoto, Y.³ Page, A.J.⁴ Wang, Y.⁵ Morokuma, K.⁶

45
- 65149099903
- J. Wintterlin and M. L. Bocquet, Surf. Sci., 2009, 603, 1841-1852.
- (2009) Surf. Sci. , vol.603 , pp. 1841-1852
- Wintterlin, J.¹ Bocquet, M.L.²

46
- 77955396263
- G. D. Nessim, Nanoscale, 2010, 2, 1306-1323.
- (2010) Nanoscale , vol.2 , pp. 1306-1323
- Nessim, G.D.¹

47
- 84858814376
- C. Journet, M. Picher and V. Jourdain, Nanotechnology, 2012, 23, 142001.
- (2012) Nanotechnology , vol.23 , pp. 142001
- Journet, C.¹ Picher, M.² Jourdain, V.³

48
- 84855468017
- M. Batzill, Surf. Sci. Rep., 2012, 67, 83-115.
- (2012) Surf. Sci. Rep. , vol.67 , pp. 83-115
- Batzill, M.¹

49
- 84869996243
- N. C. Bartelt and K. F. McCarty, MRS Bull., 2012, 37, 1158-1165.
- (2012) MRS Bull. , vol.37 , pp. 1158-1165
- Bartelt, N.C.¹ McCarty, K.F.²

50
- 6444244907
- A. Thess, R. Lee, P. Nikolaev, H. J. Dai, P. Petit, J. Robert, C. H. Xu, Y. H. Lee, S. G. Kim, A. G. Rinzler, D. T. Colbert, G. E. Scuseria, D. Tomanek, J. E. Fischer and R. E. Smalley, Science, 1996, 273, 483-487.
- (1996) Science , vol.273 , pp. 483-487
- Thess, A.¹ Lee, R.² Nikolaev, P.³ Dai, H.J.⁴ Petit, P.⁵ Robert, J.⁶ Xu, C.H.⁷ Lee, Y.H.⁸ Kim, S.G.⁹ Rinzler, A.G.¹⁰ Colbert, D.T.¹¹ Scuseria, G.E.¹² Tomanek, D.¹³ Fischer, J.E.¹⁴ Smalley, R.E.¹⁵

51
- 0032652528
- M. Yudasaka, F. Kokai, K. Takahashi, R. Yamada, N. Sensui, T. Ichihashi and S. Iijima, J. Phys. Chem. B, 1999, 103, 3576-3581.
- (1999) J. Phys. Chem. B , vol.103 , pp. 3576-3581
- Yudasaka, M.¹ Kokai, F.² Takahashi, K.³ Yamada, R.⁴ Sensui, N.⁵ Ichihashi, T.⁶ Iijima, S.⁷

52
- 0000822816
- M. Yudasaka, R. Yamada, N. Sensui, T. Wilkins, T. Ichihashi and S. Iijima, J. Phys. Chem. B, 1999, 103, 6224-6229.
- (1999) J. Phys. Chem. B , vol.103 , pp. 6224-6229
- Yudasaka, M.¹ Yamada, R.² Sensui, N.³ Wilkins, T.⁴ Ichihashi, T.⁵ Iijima, S.⁶

53
- 0036502862
- M. Yudasaka, Y. Kasuya, F. Kokai, K. Takahashi, M. Takizawa, S. Bandow and S. Iijima, Appl. Phys. A: Mater. Sci. Process., 2002, 74, 377-385.
- (2002) Appl. Phys. A: Mater. Sci. Process. , vol.74 , pp. 377-385
- Yudasaka, M.¹ Kasuya, Y.² Kokai, F.³ Takahashi, K.⁴ Takizawa, M.⁵ Bandow, S.⁶ Iijima, S.⁷

54
- 0030603956
- H. Dai, A. G. Rinzler, P. Nikolaev, A. Thess, D. T. Colbert and R. E. Smalley, Chem. Phys. Lett., 1996, 260, 471-475.
- (1996) Chem. Phys. Lett. , vol.260 , pp. 471-475
- Dai, H.¹ Rinzler, A.G.² Nikolaev, P.³ Thess, A.⁴ Colbert, D.T.⁵ Smalley, R.E.⁶

55
- 0002895818
- P. Nikolaev, M. J. Bronikowski, R. K. Bradley, F. Rohmund, D. T. Colbert, K. A. Smith and R. E. Smalley, Chem. Phys. Lett., 1999, 313, 91-97.
- (1999) Chem. Phys. Lett. , vol.313 , pp. 91-97
- Nikolaev, P.¹ Bronikowski, M.J.² Bradley, R.K.³ Rohmund, F.⁴ Colbert, D.T.⁵ Smith, K.A.⁶ Smalley, R.E.⁷

56
- 0035741884
- J. E. Herrera, L. Balzano, A. Borgna, W. E. Alvarez and D. E. Resasco, J. Catal., 2001, 204, 129-145.
- (2001) J. Catal. , vol.204 , pp. 129-145
- Herrera, J.E.¹ Balzano, L.² Borgna, A.³ Alvarez, W.E.⁴ Resasco, D.E.⁵

57
- 33751122778
- R. S. Wagner and W. C. Ellis, Appl. Phys. Lett., 1964, 89, 89-90.
- (1964) Appl. Phys. Lett. , vol.89 , pp. 89-90
- Wagner, R.S.¹ Ellis, W.C.²

58
- 0024898255
- R. T. K. Baker, Carbon, 1989, 27, 315-323.
- (1989) Carbon , vol.27 , pp. 315-323
- Baker, R.T.K.¹

59
- 79851485630
- A. J. Page, K. R. S. Chandrakumar, S. Irle and K. Morokuma, J. Am. Chem. Soc., 2011, 133, 621-628.
- (2011) J. Am. Chem. Soc. , vol.133 , pp. 621-628
- Page, A.J.¹ Chandrakumar, K.R.S.² Irle, S.³ Morokuma, K.⁴

60
- 27144559109
- S. Hofmann, G. Csanyi, A. C. Ferrari, M. C. Payne and J. Robertson, Phys. Rev. Lett., 2005, 95, 036101.
- (2005) Phys. Rev. Lett. , vol.95 , pp. 036101
- Hofmann, S.¹ Csanyi, G.² Ferrari, A.C.³ Payne, M.C.⁴ Robertson, J.⁵

61
- 34047121249
- S. Hofmann, R. Sharma, C. Ducati, G. Du, C. Mattevi, C. Cepek, M. Cantoro, S. Pisana, A. Parvez, F. Cervantes-Sodi, A. C. Ferrari, R. Dunin-Borkowski, S. Lizzit, L. Petaccia, A. Goldoni and J. Robertson, Nano Lett., 2007, 7, 602-608.
- (2007) Nano Lett. , vol.7 , pp. 602-608
- Hofmann, S.¹ Sharma, R.² Ducati, C.³ Du, G.⁴ Mattevi, C.⁵ Cepek, C.⁶ Cantoro, M.⁷ Pisana, S.⁸ Parvez, A.⁹ Cervantes-Sodi, F.¹⁰ Ferrari, A.C.¹¹ Dunin-Borkowski, R.¹² Lizzit, S.¹³ Petaccia, L.¹⁴ Goldoni, A.¹⁵ Robertson, J.¹⁶

62
- 54949151819
- H. Yoshida, S. Takeda, T. Uchiyama, H. Kohno and Y. Homma, Nano Lett., 2008, 8, 2082-2086.
- (2008) Nano Lett. , vol.8 , pp. 2082-2086
- Yoshida, H.¹ Takeda, S.² Uchiyama, T.³ Kohno, H.⁴ Homma, Y.⁵

63
- 56949099042
- H. W. Zhu, K. Suenaga, J. Q. Wei, K. L. Wang and D. H. Wu, J. Cryst. Growth, 2008, 310, 5473-5476.
- (2008) J. Cryst. Growth , vol.310 , pp. 5473-5476
- Zhu, H.W.¹ Suenaga, K.² Wei, J.Q.³ Wang, K.L.⁴ Wu, D.H.⁵

64
- 62449178502
- F. Ding, A. R. Harutyunyan and B. I. Yakobson, Proc. Natl. Acad. Sci. U. S. A., 2009, 106, 2506-2509.
- (2009) Proc. Natl. Acad. Sci. U. S. A. , vol.106 , pp. 2506-2509
- Ding, F.¹ Harutyunyan, A.R.² Yakobson, B.I.³

65
- 84857369645
- R. Rao, D. Liptak, T. Cherukuri, B. I. Yakobson and B. Maruyama, Nat. Mater., 2012, 11, 213-216.
- (2012) Nat. Mater. , vol.11 , pp. 213-216
- Rao, R.¹ Liptak, D.² Cherukuri, T.³ Yakobson, B.I.⁴ Maruyama, B.⁵

66
- 84861573519
- Y. Shibuta and J. A. Elliott, Chem. Phys. Lett., 2012, 538, 112-117.
- (2012) Chem. Phys. Lett. , vol.538 , pp. 112-117
- Shibuta, Y.¹ Elliott, J.A.²

67
- 0001192345
- R. Rosei, M. Decrescenzi, F. Sette, C. Quaresima, A. Savoia and P. Perfetti, Phys. Rev. B: Condens. Matter Mater. Phys., 1983, 28, 1161-1164.
- (1983) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.28 , pp. 1161-1164
- Rosei, R.¹ Decrescenzi, M.² Sette, F.³ Quaresima, C.⁴ Savoia, A.⁵ Perfetti, P.⁶

68
- 0031096294
- Y. Gamo, A. Nagashima, M. Wakabayashi, M. Terai and C. Oshima, Surf. Sci., 1997, 374, 61-64.
- (1997) Surf. Sci. , vol.374 , pp. 61-64
- Gamo, Y.¹ Nagashima, A.² Wakabayashi, M.³ Terai, M.⁴ Oshima, C.⁵

69
- 40449136109
- J. Coraux, A. T. N'Diaye, C. Busse and T. Michely, Nano Lett., 2008, 8, 565-570.
- (2008) Nano Lett. , vol.8 , pp. 565-570
- Coraux, J.¹ N'Diaye, A.T.² Busse, C.³ Michely, T.⁴

70
- 71949096648
- X. Li, W. Cai, L. Colombo and R. S. Ruoff, Nano Lett., 2009, 9, 4268-4272.
- (2009) Nano Lett. , vol.9 , pp. 4268-4272
- Li, X.¹ Cai, W.² Colombo, L.³ Ruoff, R.S.⁴

71
- 79960277168
- S. Yoshii, K. Nozawa, K. Toyoda, N. Matsukawa, A. Odagawa and A. Tsujimura, Nano Lett., 2011, 11, 2628-2633.
- (2011) Nano Lett. , vol.11 , pp. 2628-2633
- Yoshii, S.¹ Nozawa, K.² Toyoda, K.³ Matsukawa, N.⁴ Odagawa, A.⁵ Tsujimura, A.⁶

72
- 84863664302
- R. S. Weatherup, B. C. Bayer, R. Blume, C. Baehtz, P. R. Kidambi, M. Fouquet, C. T. Wirth, R. Schloegl and S. Hofmann, ChemPhysChem, 2012, 13, 2544-2549.
- (2012) ChemPhysChem , vol.13 , pp. 2544-2549
- Weatherup, R.S.¹ Bayer, B.C.² Blume, R.³ Baehtz, C.⁴ Kidambi, P.R.⁵ Fouquet, M.⁶ Wirth, C.T.⁷ Schloegl, R.⁸ Hofmann, S.⁹

73
- 78649574020
- P. W. Sutter, P. M. Albrecht and E. A. Sutter, Appl. Phys. Lett., 2010, 97, 213101.
- (2010) Appl. Phys. Lett. , vol.97 , pp. 213101
- Sutter, P.W.¹ Albrecht, P.M.² Sutter, E.A.³

74
- 64749101023
- K. F. McCarty, P. J. Feibelman, E. Loginova and N. C. Bartelt, Carbon, 2009, 47, 1806-1813.
- (2009) Carbon , vol.47 , pp. 1806-1813
- McCarty, K.F.¹ Feibelman, P.J.² Loginova, E.³ Bartelt, N.C.⁴

75
- 84865094508
- H. Ago, Y. Ogawa, M. Tsuji, S. Mizuno and H. Hibino, J. Phys. Chem. Lett., 2012, 3, 2228-2236.
- (2012) J. Phys. Chem. Lett. , vol.3 , pp. 2228-2236
- Ago, H.¹ Ogawa, Y.² Tsuji, M.³ Mizuno, S.⁴ Hibino, H.⁵

76
- 84880910140
- E. C. Neyts, A. C. T. van Duin and A. Bogaerts, Nanoscale, 2013, DOI: 10.1039/c3nr00153a.
- (2013) Nanoscale
- Neyts, E.C.¹ Van Duin, A.C.T.² Bogaerts, A.³

77
- 84870449770
- R. S. Weatherup, B. Dlubak and S. Hofmann, ACS Nano, 2012, 6, 9996-10003.
- (2012) ACS Nano , vol.6 , pp. 9996-10003
- Weatherup, R.S.¹ Dlubak, B.² Hofmann, S.³

78
- 85030172890
- A. R. Harutyunyan, Proc. Natl. Acad. Sci. U. S. A., 2012, 109, 7992.
- (2012) Proc. Natl. Acad. Sci. U. S. A. , vol.109 , pp. 7992
- Harutyunyan, A.R.¹

79
- 79960258885
- J. A. Elliott, Int. Mater. Rev., 2011, 56, 207-225.
- (2011) Int. Mater. Rev. , vol.56 , pp. 207-225
- Elliott, J.A.¹

80
- 84946711902
- K. Raji and C. B. Sobhan, Nanotechnol. Rev., 2013, 2, 73-105.
- (2013) Nanotechnol. Rev. , vol.2 , pp. 73-105
- Raji, K.¹ Sobhan, C.B.²

81
- 4043129623
- Oxford University Press, New York
- M. Finnis, Interatomic Forces in Condensed Matter, Oxford University Press, New York, 2003.
- (2003) Interatomic Forces in Condensed Matter
- Finnis, M.¹

82
- 84962440885
- T. Bredow and K. Jug, Theor. Chem. Acc., 2005, 113, 1-14.
- (2005) Theor. Chem. Acc. , vol.113 , pp. 1-14
- Bredow, T.¹ Jug, K.²

83
- 0021463618
- M. W. Finnis and J. E. Sinclair, Philos. Mag. A, 1984, 50, 45-55.
- (1984) Philos. Mag. A , vol.50 , pp. 45-55
- Finnis, M.W.¹ Sinclair, J.E.²

84
- 33644817086
- D. W. Brenner, Phys. Rev. B: Condens. Matter Mater. Phys., 1990, 42, 9458-9471.
- (1990) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.42 , pp. 9458-9471
- Brenner, D.W.¹

85
- 0037017208
- D. W. Brenner, O. A. Shenderova, J. A. Harrison, S. J. Stuart, B. Ni and S. B. Sinnott, J. Phys.: Condens. Matter., 2002, 14, 783-802.
- (2002) J. Phys.: Condens. Matter. , vol.14 , pp. 783-802
- Brenner, D.W.¹ Shenderova, O.A.² Harrison, J.A.³ Stuart, S.J.⁴ Ni, B.⁵ Sinnott, S.B.⁶

86
- 0035909763
- A. C. T. van Duin, S. Dasgupta, F. Lorant and W. A. Goddard III, 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

87
- 0034668623
- C. Rey, M. M. G. Alemany, O. Dieguez and L. J. Gallego, Phys. Rev. B: Condens. Matter Mater. Phys., 2000, 62, 12640-12643.
- (2000) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.62 , pp. 12640-12643
- Rey, C.¹ Alemany, M.M.G.² Dieguez, O.³ Gallego, L.J.⁴

88
- 0035894431
- G. E. Froudakis, M. Muhlhauser, A. N. Andriotis and M. Menon, Phys. Rev. B: Condens. Matter Mater. Phys., 2001, 64, 241401.
- (2001) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.64 , pp. 241401
- Froudakis, G.E.¹ Muhlhauser, M.² Andriotis, A.N.³ Menon, M.⁴

89
- 0345168770
- R. C. Longo, M. M. G. Alemany, B. Fernandez and L. J. Gallego, Phys. Rev. B: Condens. Matter Mater. Phys., 2003, 68, 167401.
- (2003) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.68 , pp. 167401
- Longo, R.C.¹ Alemany, M.M.G.² Fernandez, B.³ Gallego, L.J.⁴

90
- 0001371764
- D. J. Klinke, S. Wilke and L. J. Broadbelt, J. Catal., 1998, 178, 540-554.
- (1998) J. Catal. , vol.178 , pp. 540-554
- Klinke, D.J.¹ Wilke, S.² Broadbelt, L.J.³

91
- 0242331095
- D. J. Siegel and J. C. Hamilton, Phys. Rev. B: Condens. Matter Mater. Phys., 2003, 68, 094105.
- (2003) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.68 , pp. 094105
- Siegel, D.J.¹ Hamilton, J.C.²

92
- 15444380838
- L. Gracia, M. Calatayud, J. Andres, C. Minot and M. Salmeron, Phys. Rev. B: Condens. Matter Mater. Phys., 2005, 71, 033407.
- (2005) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.71 , pp. 033407
- Gracia, L.¹ Calatayud, M.² Andres, J.³ Minot, C.⁴ Salmeron, M.⁵

93
- 33644918587
- G. Kalibaeva, R. Vuilleumier, S. Meloni, A. Alavi, G. Ciccotti and R. Rosei, J. Phys. Chem. B, 2006, 110, 3638-3646.
- (2006) J. Phys. Chem. B , vol.110 , pp. 3638-3646
- Kalibaeva, G.¹ Vuilleumier, R.² Meloni, S.³ Alavi, A.⁴ Ciccotti, G.⁵ Rosei, R.⁶

94
- 49349106108
- W. J. Sun and M. Saeys, J. Phys. Chem. A, 2008, 112, 6918-6928.
- (2008) J. Phys. Chem. A , vol.112 , pp. 6918-6928
- Sun, W.J.¹ Saeys, M.²

95
- 42349096617
- O. V. Yazyev and A. Pasquarello, Phys. Rev. Lett., 2008, 100, 156102.
- (2008) Phys. Rev. Lett. , vol.100 , pp. 156102
- Yazyev, O.V.¹ Pasquarello, A.²

96
- 70349129458
- G. E. Ramirez-Caballero, J. C. Burgos and P. B. Balbuena, J. Phys. Chem. C, 2009, 113, 15658-15666.
- (2009) J. Phys. Chem. C , vol.113 , pp. 15658-15666
- Ramirez-Caballero, G.E.¹ Burgos, J.C.² Balbuena, P.B.³

97
- 71749114145
- F. Cinquini, F. Delbecq and P. Sautet, Phys. Chem. Chem. Phys., 2009, 11, 11546-11556.
- (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 11546-11556
- Cinquini, F.¹ Delbecq, F.² Sautet, P.³

98
- 77957742902
- S. Riikonen, A. V. Krasheninnikov and R. M. Nieminen, Phys. Rev. B: Condens. Matter Mater. Phys., 2010, 82, 125459.
- (2010) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.82 , pp. 125459
- Riikonen, S.¹ Krasheninnikov, A.V.² Nieminen, R.M.³

99
- 65249097723
- M. Moors, H. Amara, T. V. de Bocarme, C. Bichara, F. Ducastelle, N. Kruse and J. C. Charlier, ACS Nano, 2009, 3, 511-516.
- (2009) ACS Nano , vol.3 , pp. 511-516
- Moors, M.¹ Amara, H.² De Bocarme, T.V.³ Bichara, C.⁴ Ducastelle, F.⁵ Kruse, N.⁶ Charlier, J.C.⁷

100
- 40449085093
- F. Ding, P. Larsson, J. A. Larsson, R. Ahuja, H. M. Duan, A. Rosen and K. Bolton, Nano Lett., 2008, 8, 463-468.
- (2008) Nano Lett. , vol.8 , pp. 463-468
- Ding, F.¹ Larsson, P.² Larsson, J.A.³ Ahuja, R.⁴ Duan, H.M.⁵ Rosen, A.⁶ Bolton, K.⁷

101
- 37749040233
- M. Fuentes-Cabrera, M. I. Baskes, A. V. Melechko and M. L. Simpson, Phys. Rev. B: Condens. Matter Mater. Phys., 2008, 77, 035405.
- (2008) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.77 , pp. 035405
- Fuentes-Cabrera, M.¹ Baskes, M.I.² Melechko, A.V.³ Simpson, M.L.⁴

102
- 77954894173
- M. Vanin, J. J. Mortensen, A. K. Kelkkanen, J. M. Garcia-Lastra, K. S. Thygesen and K. W. Jacobsen, Phys. Rev. B: Condens. Matter Mater. Phys., 2010, 81, 081408.
- (2010) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.81 , pp. 081408
- Vanin, M.¹ Mortensen, J.J.² Kelkkanen, A.K.³ Garcia-Lastra, J.M.⁴ Thygesen, K.S.⁵ Jacobsen, K.W.⁶

103
- 80053479878
- T. Olsen, J. Yan, J. J. Mortensen and K. S. Thygesen, Phys. Rev. Lett., 2011, 107, 156401.
- (2011) Phys. Rev. Lett. , vol.107 , pp. 156401
- Olsen, T.¹ Yan, J.² Mortensen, J.J.³ Thygesen, K.S.⁴

104
- 82655169591
- F. Mittendorfer, A. Garhofer, J. Redinger, J. Klimes, J. Harl and G. Kresse, Phys. Rev. B: Condens. Matter Mater. Phys., 2011, 84, 201401.
- (2011) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.84 , pp. 201401
- Mittendorfer, F.¹ Garhofer, A.² Redinger, J.³ Klimes, J.⁴ Harl, J.⁵ Kresse, G.⁶

105
- 83055161553
- Y. Wang, A. J. Page, Y. Nishimoto, H.-J. Qian, K. Morokuma and S. Irle, J. Am. Chem. Soc., 2011, 133, 18837-18842.
- (2011) J. Am. Chem. Soc. , vol.133 , pp. 18837-18842
- Wang, Y.¹ Page, A.J.² Nishimoto, Y.³ Qian, H.-J.⁴ Morokuma, K.⁵ Irle, S.⁶

106
- 84864045752
- H.-B. Li, A. J. Page, Y. Wang, S. Irle and K. Morokuma, Chem. Commun., 2012, 48, 7937-7939.
- (2012) Chem. Commun. , vol.48 , pp. 7937-7939
- Li, H.-B.¹ Page, A.J.² Wang, Y.³ Irle, S.⁴ Morokuma, K.⁵

107
- 2542533439
- A. Maiti, C. J. Brabec, C. M. Roland and J. Bernholc, Phys. Rev. Lett., 1994, 73, 2468-2471.
- (1994) Phys. Rev. Lett. , vol.73 , pp. 2468-2471
- Maiti, A.¹ Brabec, C.J.² Roland, C.M.³ Bernholc, J.⁴

108
- 0001402102
- A. Maiti, C. J. Brabec, C. Roland and J. Bernholc, Phys. Rev. B: Condens. Matter Mater. Phys., 1995, 52, 14850-14858.
- (1995) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.52 , pp. 14850-14858
- Maiti, A.¹ Brabec, C.J.² Roland, C.³ Bernholc, J.⁴

109
- 29644437142
- S. Reich, L. Li and J. Robertson, Phys. Rev. B: Condens. Matter Mater. Phys., 2005, 72, 165423.
- (2005) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.72 , pp. 165423
- Reich, S.¹ Li, L.² Robertson, J.³

110
- 58149215933
- D. A. Gomez-Gualdron and P. B. Balbuena, Nanotechnology, 2008, 19, 485604.
- (2008) Nanotechnology , vol.19 , pp. 485604
- Gomez-Gualdron, D.A.¹ Balbuena, P.B.²

111
- 77649137583
- Q. Wang, M. F. Ng, S. W. Yang, Y. H. Yang and Y. A. Chen, ACS Nano, 2010, 4, 939-946.
- (2010) ACS Nano , vol.4 , pp. 939-946
- Wang, Q.¹ Ng, M.F.² Yang, S.W.³ Yang, Y.H.⁴ Chen, Y.A.⁵

112
- 0031053322
- J. C. Charlier, A. DeVita, X. Blase and R. Car, Science, 1997, 275, 646-649.
- (1997) Science , vol.275 , pp. 646-649
- Charlier, J.C.¹ DeVita, A.² Blase, X.³ Car, R.⁴

113
- 0003078722
- Y. H. Lee, S. G. Kim and D. Tomanek, Phys. Rev. Lett., 1997, 78, 2393-2396.
- (1997) Phys. Rev. Lett. , vol.78 , pp. 2393-2396
- Lee, Y.H.¹ Kim, S.G.² Tomanek, D.³

114
- 0037527908
- X. Fan, R. Buczko, A. A. Puretzky, D. B. Geohegan, J. Y. Howe, S. T. Pantelides and S. J. Pennycook, Phys. Rev. Lett., 2003, 90, 145501.
- (2003) Phys. Rev. Lett. , vol.90 , pp. 145501
- Fan, X.¹ Buczko, R.² Puretzky, A.A.³ Geohegan, D.B.⁴ Howe, J.Y.⁵ Pantelides, S.T.⁶ Pennycook, S.J.⁷

115
- 78649890525
- Y. Y. Liu, A. Dobrinsky and B. I. Yakobson, Phys. Rev. Lett., 2010, 105, 235502.
- (2010) Phys. Rev. Lett. , vol.105 , pp. 235502
- Liu, Y.Y.¹ Dobrinsky, A.² Yakobson, B.I.³

116
- 78651298169
- D. A. Gomez-Gualdron, J. Zhao and P. B. Balbuena, J. Chem. Phys., 2011, 134, 014705.
- (2011) J. Chem. Phys. , vol.134 , pp. 014705
- Gomez-Gualdron, D.A.¹ Zhao, J.² Balbuena, P.B.³

117
- 33645407169
- M. Lin, J. P. Y. Tan, C. Boothroyd, K. P. Loh, E. S. Tok and Y. L. Foo, Nano Lett., 2006, 6, 449-452.
- (2006) Nano Lett. , vol.6 , pp. 449-452
- Lin, M.¹ Tan, J.P.Y.² Boothroyd, C.³ Loh, K.P.⁴ Tok, E.S.⁵ Foo, Y.L.⁶

118
- 0035981059
- J. Gavillet, A. Loiseau, C. Journet, F. Willaime, F. Ducastelle and J. C. Charlier, Phys. Rev. Lett., 2001, 87, 275504.
- (2001) Phys. Rev. Lett. , vol.87 , pp. 275504
- Gavillet, J.¹ Loiseau, A.² Journet, C.³ Willaime, F.⁴ Ducastelle, F.⁵ Charlier, J.C.⁶

119
- 27144523176
- J. Y. Raty, F. Gygi and G. Galli, Phys. Rev. Lett., 2005, 95, 096103.
- (2005) Phys. Rev. Lett. , vol.95 , pp. 096103
- Raty, J.Y.¹ Gygi, F.² Galli, G.³

120
- 84861857646
- J. Kim, A. J. Page, S. Irle and K. Morokuma, J. Am. Chem. Soc., 2012, 134, 9311-9319.
- (2012) J. Am. Chem. Soc. , vol.134 , pp. 9311-9319
- Kim, J.¹ Page, A.J.² Irle, S.³ Morokuma, K.⁴

121
- 0003795484
- North-Holland, Amsterdam
- F. Ducastelle, Order and Phase Stability in Alloys, North-Holland, Amsterdam, 1991.
- (1991) Order and Phase Stability in Alloys
- Ducastelle, F.¹

122
- 0004151048
- Oxford University Press, Oxford
- D. Pettifor, Bonding and Structure in Molecules and Solids, Oxford University Press, Oxford, 1995.
- (1995) Bonding and Structure in Molecules and Solids
- Pettifor, D.¹

123
- 0000612653
- D. H. Oh and Y. H. Lee, Phys. Rev. B: Condens. Matter Mater. Phys., 1998, 58, 7407-7411.
- (1998) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.58 , pp. 7407-7411
- Oh, D.H.¹ Lee, Y.H.²

124
- 4243582733
- P. H. Zhang and V. H. Crespi, Phys. Rev. Lett., 1999, 83, 1791-1794.
- (1999) Phys. Rev. Lett. , vol.83 , pp. 1791-1794
- Zhang, P.H.¹ Crespi, V.H.²

125
- 0000400864
- A. N. Andriotis and M. Menon, Phys. Rev. B: Condens. Matter Mater. Phys., 1999, 59, 15942-15949.
- (1999) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.59 , pp. 15942-15949
- Andriotis, A.N.¹ Menon, M.²

126
- 0034299433
- A. N. Andriotis, M. Menon and G. Froudakis, Phys. Rev. Lett., 2000, 85, 3193-3196.
- (2000) Phys. Rev. Lett. , vol.85 , pp. 3193-3196
- Andriotis, A.N.¹ Menon, M.² Froudakis, G.³

127
- 49249137495
- Y. Ohta, Y. Okamoto, S. Irle and K. Morokuma, ACS Nano, 2008, 2, 1437-1444.
- (2008) ACS Nano , vol.2 , pp. 1437-1444
- Ohta, Y.¹ Okamoto, Y.² Irle, S.³ Morokuma, K.⁴

128
- 61649105773
- Y. Ohta, Y. Okamoto, S. Irle and K. Morokuma, J. Phys. Chem. C, 2009, 113, 159-169.
- (2009) J. Phys. Chem. C , vol.113 , pp. 159-169
- Ohta, Y.¹ Okamoto, Y.² Irle, S.³ Morokuma, K.⁴

129
- 77952042327
- A. J. Page, S. Irle and K. Morokuma, J. Phys. Chem. C, 2010, 114, 8206-8211.
- (2010) J. Phys. Chem. C , vol.114 , pp. 8206-8211
- Page, A.J.¹ Irle, S.² Morokuma, K.³

130
- 0842341771
- M. J. S. Dewar, E. G. Zoebisch, E. F. Healy and J. J. P. Stewart, J. Am. Chem. Soc., 1985, 107, 3902-3909.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902-3909
- Dewar, M.J.S.¹ Zoebisch, E.G.² Healy, E.F.³ Stewart, J.J.P.⁴

131
- 0346850729
- P. Winget, C. Selcuki, A. H. C. Horn, B. Martin and T. Clark, Theor. Chem. Acc., 2003, 110, 254-266.
- (2003) Theor. Chem. Acc. , vol.110 , pp. 254-266
- Winget, P.¹ Selcuki, C.² Horn, A.H.C.³ Martin, B.⁴ Clark, T.⁵

132
- 35448937584
- J. J. P. Stewart, J. Mol. Model., 2007, 13, 1173-1213.
- (2007) J. Mol. Model. , vol.13 , pp. 1173-1213
- Stewart, J.J.P.¹

133
- 56749185537
- J. A. Elliott and Y. Shibuta, Mol. Simul., 2008, 34, 891-903.
- (2008) Mol. Simul. , vol.34 , pp. 891-903
- Elliott, J.A.¹ Shibuta, Y.²

134
- 71349088283
- H. Kayi and T. Clark, J. Mol. Model., 2010, 16, 29-47.
- (2010) J. Mol. Model. , vol.16 , pp. 29-47
- Kayi, H.¹ Clark, T.²

135
- 78951470002
- M. Walther, B. M. Alzubi, R. Puchta, G. Linti, R. Meier and R. Van Eldik, J. Coord. Chem., 2011, 64, 18-29.
- (2011) J. Coord. Chem. , vol.64 , pp. 18-29
- Walther, M.¹ Alzubi, B.M.² Puchta, R.³ Linti, G.⁴ Meier, R.⁵ Van Eldik, R.⁶

136
- 59649112149
- H. Amara, J. M. Roussel, C. Bichara, J. P. Gaspard and F. Ducastelle, Phys. Rev. B: Condens. Matter Mater. Phys., 2009, 79, 014109.
- (2009) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.79 , pp. 014109
- Amara, H.¹ Roussel, J.M.² Bichara, C.³ Gaspard, J.P.⁴ Ducastelle, F.⁵

137
- 38949093018
- H. Amara, C. Bichara and F. Ducastelle, Phys. Rev. Lett., 2008, 100, 056105.
- (2008) Phys. Rev. Lett. , vol.100 , pp. 056105
- Amara, H.¹ Bichara, C.² Ducastelle, F.³

138
- 84861833957
- S. Haghighatpanah, A. Borjesson, H. Amara, C. Bichara and K. Bolton, Phys. Rev. B: Condens. Matter Mater. Phys., 2012, 85, 205448.
- (2012) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.85 , pp. 205448
- Haghighatpanah, S.¹ Borjesson, A.² Amara, H.³ Bichara, C.⁴ Bolton, K.⁵

139
- 78049342423
- S. Karoui, H. Amara, C. Bichara and F. Ducastelle, ACS Nano, 2010, 4, 6114-6120.
- (2010) ACS Nano , vol.4 , pp. 6114-6120
- Karoui, S.¹ Amara, H.² Bichara, C.³ Ducastelle, F.⁴

140
- 84863305559
- M. Diarra, H. Amara, C. Bichara and F. Ducastelle, Phys. Rev. B: Condens. Matter Mater. Phys., 2012, 85, 245446.
- (2012) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.85 , pp. 245446
- Diarra, M.¹ Amara, H.² Bichara, C.³ Ducastelle, F.⁴

141
- 0036776582
- Y. Shibuta and S. Maruyama, Phys. B, 2002, 323, 187-189.
- (2002) Phys. B , vol.323 , pp. 187-189
- Shibuta, Y.¹ Maruyama, S.²

142
- 0345293289
- Y. Shibuta and S. Maruyama, Chem. Phys. Lett., 2003, 382, 381-386.
- (2003) Chem. Phys. Lett. , vol.382 , pp. 381-386
- Shibuta, Y.¹ Maruyama, S.²

143
- 3042798258
- S. Maruyama, Y. Murakami, Y. Shibuta, Y. Miyauchi and S. Chiashi, J. Nanosci. Nanotechnol., 2004, 4, 360-367.
- (2004) J. Nanosci. Nanotechnol. , vol.4 , pp. 360-367
- Maruyama, S.¹ Murakami, Y.² Shibuta, Y.³ Miyauchi, Y.⁴ Chiashi, S.⁵

144
- 4344683487
- F. Ding, A. Rosen and K. Bolton, J. Chem. Phys., 2004, 121, 2775-2779.
- (2004) J. Chem. Phys. , vol.121 , pp. 2775-2779
- Ding, F.¹ Rosen, A.² Bolton, K.³

145
- 33744507650
- F. Ding, K. Bolton and A. Rosen, Appl. Surf. Sci., 2006, 252, 5254-5258.
- (2006) Appl. Surf. Sci. , vol.252 , pp. 5254-5258
- Ding, F.¹ Bolton, K.² Rosen, A.³

146
- 22344446405
- F. Ding, A. Rosen and K. Bolton, Carbon, 2005, 43, 2215-2217.
- (2005) Carbon , vol.43 , pp. 2215-2217
- Ding, F.¹ Rosen, A.² Bolton, K.³

147
- 21144449633
- J. Zhao, A. Martinez-Limia and P. B. Balbuena, Nanotechnology, 2005, 16, S575-S581.
- (2005) Nanotechnology , vol.16 , pp. S575-S581
- Zhao, J.¹ Martinez-Limia, A.² Balbuena, P.B.³

148
- 72449136204
- M. A. Ribas, F. Ding, P. B. Balbuena and B. I. Yakobson, J. Chem. Phys., 2009, 131, 224501.
- (2009) J. Chem. Phys. , vol.131 , pp. 224501
- Ribas, M.A.¹ Ding, F.² Balbuena, P.B.³ Yakobson, B.I.⁴

149
- 77951130518
- J. C. Burgos, H. Reyna, B. I. Yakobson and P. B. Balbuena, J. Phys. Chem. C, 2010, 114, 6952-6958.
- (2010) J. Phys. Chem. C , vol.114 , pp. 6952-6958
- Burgos, J.C.¹ Reyna, H.² Yakobson, B.I.³ Balbuena, P.B.⁴

150
- 78649608217
- E. C. Neyts, Y. Shibuta, A. C. T. van Duin and A. Bogaerts, ACS Nano, 2010, 4, 6665-6672.
- (2010) ACS Nano , vol.4 , pp. 6665-6672
- Neyts, E.C.¹ Shibuta, Y.² Van Duin, A.C.T.³ Bogaerts, A.⁴

151
- 80054970523
- E. C. Neyts, A. C. T. van Duin and A. Bogaerts, J. Am. Chem. Soc., 2011, 133, 17225-17231.
- (2011) J. Am. Chem. Soc. , vol.133 , pp. 17225-17231
- Neyts, E.C.¹ Van Duin, A.C.T.² Bogaerts, A.³

152
- 84863337798
- L. Meng, Q. Sun, J. Wang and F. Ding, J. Phys. Chem. C, 2012, 116, 6097-6102.
- (2012) J. Phys. Chem. C , vol.116 , pp. 6097-6102
- Meng, L.¹ Sun, Q.² Wang, J.³ Ding, F.⁴

153
- 84864043335
- G. Barcaro, B. Zhu, M. Hou and A. Fortunelli, Comput. Mater. Sci., 2012, 63, 303-311.
- (2012) Comput. Mater. Sci. , vol.63 , pp. 303-311
- Barcaro, G.¹ Zhu, B.² Hou, M.³ Fortunelli, A.⁴

154
- 3242876024
- F. Ding, A. Rosen and K. Bolton, Chem. Phys. Lett., 2004, 393, 309-313.
- (2004) Chem. Phys. Lett. , vol.393 , pp. 309-313
- Ding, F.¹ Rosen, A.² Bolton, K.³

155
- 34248186536
- Y. Shibuta and S. Maruyama, Comput. Mater. Sci., 2007, 39, 842-848.
- (2007) Comput. Mater. Sci. , vol.39 , pp. 842-848
- Shibuta, Y.¹ Maruyama, S.²

156
- 78649530959
- J. E. Mueller, A. C. T. van Duin and W. A. Goddard III, 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

157
- 0036543165
- Z. Y. Jian, K. Kuribayashi and W. Q. Jie, Mater. Trans., 2002, 43, 721-726.
- (2002) Mater. Trans. , vol.43 , pp. 721-726
- Jian, Z.Y.¹ Kuribayashi, K.² Jie, W.Q.³

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