Structural Properties of Potassium Encapsulated in Carbon Nanotubes


Article Preview

We have investigated structural phases of potassium in carbon nanotubes using a structural optimization process applied to an atomistic simulation method. As the radius of the carbon nanotubes is increased, various structural phases ranging from an atomic strand to multi-shell packs composed of coaxial cylindrical shells and helical, layered, and crystalline structures are found to emerge. Numbers of helical atom rows composed of coaxial tubes and orthogonal vectors of a circular rolling of a triangular network can explain multi-shell phases of potassium in carbon nanotubes.



Key Engineering Materials (Volumes 277-279)

Edited by:

Kwang Hwa Chung, Yong Hyeon Shin, Sue-Nie Park, Hyun Sook Cho, Soon-Ae Yoo, Byung Joo Min, Hyo-Suk Lim and Kyung Hwa Yoo




M. Y. Lee et al., "Structural Properties of Potassium Encapsulated in Carbon Nanotubes", Key Engineering Materials, Vols. 277-279, pp. 919-928, 2005

Online since:

January 2005




[1] P.M. Ajayan and S. Iijima: Nature Vol. 361 (1993), p.333.

[2] S. Iijima and T. Ichihashi: Nature Vol. 363 (1993), p.503.

[3] B.W. Smith, M. Monthioux and D.E. Luzzi: Nature Vol. 396 (1998), p.323.

[4] O.A. Shenderova, V.V. Zhirnov and D.W. Brenner: Crit. Rev. Solid State Mater. Sci. Vol. 27 (2002), p.227.

[5] D. Qian, G.J. Wagner, W.K. Liu, M. F. Yu and R.S. Ruoff: Appl. Mech. Rev. Vol. 55 (2002), p.495.

[6] R.R. Meyer, J. Sloan, R.E. Dunin-Borkowski, A.I. Kirkland, M.C. Novotny, S.R. Bailey, J.L. Hutchison and M.L.H. Green: Science Vol. 289 (2001), p.1324.

[7] J. Sloan, N.C. Novotny, S.R. Bailey, G. Brown, C. Xu, V.C. Williams, S. Friedrichs, E. Flahaut, R. L. Callender, A.P.E. York, K.S. Coleman, M.L.H. Green, R.E. Dunin-Borkowski and J.L. Hutchison: Chem. Phys. Lett. Vol. 329 (2000), p.61.


[8] J. Sloan, S. Friedrichs, R. R. Meyer, A.I. Kirkland, J. L. Hutchison, and M.L.H. Green, Inorganic Chemica Acta Vol. 330 (2002), p.1.

[9] J. Sloan, S. J. Grosvernor, S. Friedrichs, A. I. Kirkland, J. L. Hutchison and M. L. H. Green: Angew. Chem. Int. Ed. Vol. 41 (2002), p.1156.

[10] J. Sloan, R.E. Dunin-Borkowski, J.L. Hutchison, K.S. Coleman, V. C. Williams, J.B. Claridge, A.P.E. York, C. Xu, S.R. Bailey, G. Brown, S. Friedrichs and M.L.H. Green: Chem. Phys. Lett. Vol. 316 (2000), p.191.

[11] J. Sloan, D.M. Wright, H.G. Woo, S. Bailey, G. Brown, A.P.E. York, K.S. Coleman, J.L. Hutchison and M.L.H. Green: Chem. Commun. (1999), p.699.

[12] M. Monthioux: Carbon Vol. 40 (2002), p.1809.

[13] J. Zhao, A. Buldum, J. Han and J.P. Lu: Phys. Rev. Lett. Vol. 85 (2000), p.1706.

[14] J. Yang, H.J. Liu and C.T. Chan: Phys. Rev. B Vol. 64 (2001), p.085420.

[15] H. Shimoda, B. Gao, X.P. Tang, A. Kleinhammes, L. Fleming, Y. Wu and O. Zhou: Phys. Rev. Lett. Vol. 88 (2002), p.015502.

[16] V. Derycke, R. Martel, J. Appenzeller and P. Avouris: Appl. Phys. Lett. Vol. 80 (2002), p.2773.

[17] N. Bendiab, A. Righi, E. Anglaret, J.L. Sauvajol, L. Duclaux and F. Béguin: Chem. Phys. Lett. Vol. 339 (2001), p.305.

[18] S. Suzuki, C. Bower and O. Zhou: Chem. Phys. Lett. Vol. 285 (1998), p.230.

[19] S. Suzuki, C. Bower, Y. Watanabe and O. Zhou: Appl. Phys. Lett. Vol. 76 (2000), p.4007.

[20] A. Wadhawan, R.E. Stallcup II and J.M. Perez: Appl. Phys. Lett. Vol. 78 (2001), p.108.

[21] R. S. Lee, H. J. Kim, J. E. Fischer, A. Thess and R. E. Smalley: Nature Vol. 388 (1997), p.255. Title of Publication (to be inserted by the publisher).

[22] A. M. Rao, P. C. Eklund, S. Bandow, A. Thess and R. E. Smalley: Nature Vol. 388 (1997), p.257.

[23] M.S. Dresselhaus, G. Dresselhaus and P.C. Eklund: Science of fullerenes and carbon nanotubes (Academic Press, San Diego, CA 1995).

[24] K. Esfarjani, A.A. Farajian, Y. Hashi and Y. Kawazoe: Appl. Phys. Lett. Vol. 74 (1999), p.79.

[25] G.H. Jeong, A.A. Farajian, R. Hatakeyama, T. Hirata, T. Yaguchi, K. Tohji, H. Mizuseki and Y. Kawazoe: Phys. Rev. B Vol. 68 (2003), p.075410.

[26] A.A. Farajian, K. Ohno, K. Esfarjani, Y. Maruyama and Y. Kawazoe: J. Chem. Phys. Vol. 111 (1999), p.2164.

[27] G. Gao, T. Cagin and W.A. Goddard III: Phys. Rev. Lett. Vol. 80 (1998), p.5556.

[28] Y. Miyamoto, A. Rubio, X. Blasé, M. L. Cohen and S. G. Gouie: Phys. Rev. Lett. Vol. 74 (1995), p.2993.

[29] Liu Hong, Dong Jin-Ming, Qian Mei-Chun and Wan Xian-Gang: Chinese Phys. Vol. 12 (2003), p.542.


[30] H.J. Hwang and J.W. Kang: J. Korean Phys. Soc. Vol. 40 (2002), p.283.

[31] J.W. Kang and H.J. Hwang: Mol. Simul. Vol. 28 (2002), p.1021.

[32] G. Chen, Y. Guo, N. Karasawa and W. A. Goddard III: Phys. Rev. B Vol. 48 (1993), p.13959.

[33] Y. Guo, N. Karsawa and W.A. Goddard III: Nature Vol. 351 (1991), p.464.

[34] A. Mansour, S.E. Shnatterly and J.J. Risko: Phys. Rev. Lett. Vol. 58 (1987), p.614.

[35] W.Y. Choi, J.W. Kang and H.J. Hwang: Phys. Rev. B Vol. 68 (2003), p.193405.

[36] J.W. Kang, H.J. Hwang: Nanotechnology Vol. 15 (2004), p.115.

[37] J.W. Kang and H.J. Hwang: Phys. Rev. B Vol. 64 (2001), p.014108.

[38] J.W. Kang, J.J. Seo, K.R. Byun and H.J. Hwang: Phys. Rev. B Vol. 66 (2002), p.125405.

[39] J.W. Kang and H.J. Hwang: Nanotechnology Vol. 13 (2002), p.503.

[40] J. Sloan and M.L.H. Green: Nanostructured materials and nanotechnology edited by H.S. Nalwa (Academic press, San Diego, CA 2002), p.361.

[41] M. Hodak and L.A. Girifalco: Phys. Rev. B Vol. 67 (2003), p.075419.

[42] W. Kickelson, S. Aloni, W.Q. Han, J. Cumings and A. Zettl: Science Vol. 300 (2003), p.467.

[43] O. Gulseren, F. Erolessi and E. Tosatti: Phys. Rev. Lett. Vol. 80 (1998), p.3775.

[44] F. Di Tolla, A. Dal Corse, J.A. Torres and E. Tosatti: Surf. Sci. Vol. 456 (2000), p.947.

[45] B. Wang, S. Yin, G. Wang, A. Buldum and J. Zhao: Phys. Rev. Lett. Vol. 86 (2001), p. (2046).

[46] G. Bialalbegovic: Phys. Rev. B Vol. 58 (1998), p.15412.

[47] E. Tosatti, S. Prestipino, S. Kostlmeier, A. Dal Corso and F. D. Di Tolla: Science Vol. 291 (2001), p.288.

[48] G. Bialalbegovic: Solid State Commun. Vol. 115 (2000), p.73.

[49] J.A. Torres, E. Tosatti, A. Dal Corso, F. Ercolessi, J.J. Kohanoff, F.D. Di Tolla and J.M. Soler: Surf. Sci. Vol. 426 (1999), p. L441.


[50] G. Bialalbegovic: Comp. Master. Sci. Vol. 18 (2000), p.333.

[51] B. Wang, S. Yin, G. Wang and J. Zhao: J. Phys.: Condens. Matter Vol. 13 (2001), p. L403. Title of Publication (to be inserted by the publisher).

[52] Y. Kondo and K. Takayanagi: Phys. Rev. Lett. Vol. 79 (1997), p.3455.

[53] H. Ohnishi, Y. Kondo and K. Takayanagi: Nature Vol. 395 (1998), p.780.

[54] Y. Kondo and K. Takayanagi: Science Vol. 289 (2000), p.606.

[55] V. Rodribues, T. Fuhere and D. Ugarte: Phys. Rev. Lett. Vol. 85 (2000), p.4124.

[56] Y. Oshima, H. Koizumi, K. Mouri, H. Jirayama and K. Takayanagi: Phys. Rev. B Vol. 65 (2002), p.121401.

[57] Y. Ma, Y. Xia, M. Zhao and M. Ying: Chem. Phys. Lett. Vol. 357 (2002), p.97.

[58] K. Koga, G. T. Gao, H. Tanaka and X. C. Zeng: Nature Vol. 412 (2001), p.802.