Ca-decorated graphene-based three-dimensional structures for high-capacity hydrogen storage

Journal of Physical Chemistry C

Volumn 113, Issue 47, 2009, Pages 20499-20503

  Kim, Gyubong ^a   Jhi, Seung Hoon ^a  

^a Pohang University of Science and Technology (POSTECH)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

3D STRUCTURE; AB INITIO METHOD; BINDING CHARACTERISTICS; CHAIN STRUCTURE; D ORBITALS; GRAPHENES; HIGH-CAPACITY; HYDROGEN ADSORPTION; PLANAR GRAPHENE; STORAGE CAPACITY; THREE-DIMENSIONAL (3D); THREE-DIMENSIONAL STRUCTURE; VERTEX SITES;

CALCIUM; GAS ADSORPTION; GRAPHITE; HYDROGEN; OLIGOMERS; POROUS MATERIALS; THREE DIMENSIONAL;

HYDROGEN STORAGE;

EID: 71049158681     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp907368t     Document Type: Article

References (45)

1. U.S. Department of Energy Homepage. Multi-Year Research, Development and Demonstration Plan: Planned Program Activities for 2005-2015. http://www.eere.energy.gov/hydrogenandfuelcells/mypp/.
2. Zhao, Y.; Kim, Y.-H.; Dillon, A. C.; Heben, M. J.; Zhang, S. B. Phys. Rev. Lett. 2005, 94, 155504.
3. Yildirim, T.; Ciraci, S. Phys. Rev. Lett. 2005, 94, 175501.
4. Lee, H.; Choi, W. I.; Ihm, J. Phys. Rev. Lett. 2006, 97, 056104.
5. Park, N.; Hong, S.; Kim, G.; Jhi, S.-H. J. Am. Chem. Soc. 2007, 129, 8999.
6. Phillips, A. B.; Shivaram, B. S. Phys. Rev. Lett. 2008, 100, 105505.
7. Hamaed, A.; Trudeau, M.; Antonelli, D. M. J. Am. Chem. Soc. 2008, 130, 6992.
8. Kim, G.; Jhi, S.-H.; Park, N.; Louie, S. G.; Cohen, M. L. Phys. Rev. B 2008, 78, 085408.
9. Kim, G.; Park, N.; Jhi, S.-H. Appl. Phys. Lett. 2008, 92, 013106.
10. Kim, G.; Jhi, S.-H.; Lim, S.; Park, N. Appl. Phys. Lett. 2009, 94, 173102.
11. Züttel, A.; Schlapbach, L. Nature 2001, 414.
12. Fichtner, M. Adv. Eng. Mater. 2005, 7, 443.
13. Sun, Q.; Wang, Q.; Jena, P.; Kawazoe, Y. J. Am. Chem. Soc. 2005, 127, 14582.
14. Li, S.; Jena, P. Phys. Rev. Lett. 2006, 97, 209601.
15. Kim, Y.-H.; Zhao, Y.; Williamson, A.; Heben, M. J.; Zhang, S. B. Phys. Rev. Lett. 2006, 96, 016102.
16. Lochan, R. C.; Head-Gordon, M. Phys. Chem. Chem. Phys. 2006, 8, 1357.
17. Yoon, M.; Yang, S.; Hicke, C.; Wang, E.; Geohegan, D.; Zhang, Z. Phys. Rev. Lett. 2008, 100, 206806.
18. Kim, G.; Jhi, S.-H.; Lim, S.; Park, N. Phys. Rev. B 2009, 79, 155437.
19. Li, M.; Li, Y.; Zhou, Z.; Shen, P.; Chen, Z. Nano Lett. 2009, 9, 1944.
20. Kim, Y.-H.; Sun, Y. Y.; Zhang, S. B. Phys. Rev. B 2009, 79, 115424.
21. Ataca, C.; Aktürk, E.; Ciraci, S. Phys. Rev. B 2009, 79, 041406.
22. Yang, X.; Zhang, R. Q.; Ni, J. Phys. Rev. B 2009, 79, 075431.
23. Wang, Q.; Sun, Q.; Jena, P.; Kawazoe, Y. J. Chem. Theory Comput. 2009, 5, 374.
24. Sun, Y. Y.; Lee, K.; Kim, Y.-H.; Zhang, S. B. Appl. Phys. Lett. 2009, 95, 033109.
25. Gupta, V.; Scharff, P.; Rischa, K.; Romanus, H.; Müller, R. Solid State Commun. 2004, 131, 153.
26. Klontzas, E.; Mavrandonakis, A.; Tylianakis, E.; Froudakis, G. E. Nano Lett. 2008, 8, 1572.
27. Luo, J.; Xu, H.; Liu, Y.; Zhao, Y.; Daemen, L. L.; Brown, C.; imofeeva, T. V.; Ma, S.; Zhou, H.-C. J. Am. Chem. Soc. 2008, 130, 9626.
28. Nouar, F.; Eckert, J.; Eubank, J. F.; Forster, P.; Eddaoudi, M. J. Am. Chem. Soc. 2009, 131, 2864.
29. Sillar, K.; Hofmann, A.; Sauer, J. J. Am. Chem. Soc. 2009, 131, 4143.
30. Vitillo, J. G.; Regli, L.; Chavan, S.; Ricchiardi, G.; Spoto, G.; Dietzel, P. D. C.; Bordiga, S.; Zecchina, A. J. Am. Chem. Soc. 2008, 130, 8386.
31. Guo, Z.; Cao, R.; Wang, X.; Li, H.; Yuan, W.; Wang, G.; Wu, H.; Li, J. J. Am. Chem. Soc. 2009, 131, 6894.
32. Tsao, C.-S.; Yu, M.-S.; Wang, C.-Y.; Liao, P.-Y.; Chen, H.-L.; Jeng, U.-S.; Tzeng, Y.-R.; Chung, T.-Y.; Wu, H.-C. J. Am. Chem. Soc. 2009, 131, 1404.
33. Dimitrakakis, G. K.; Tylianakis, E.; Froudakis, G. E. Nano Lett. 2008, 8, 3166.
34. Park, N.; Ihm, J. Phys. Rev. B 2000, 62, 7614.
35. Han, S. S.; Furukawa, H.; Yaghi, O. M.; Goddard, W. A., III J. Am. Chem. Soc. 2008, 130, 11580.
36. Leonard, A. D.; Hudson, J. L.; Fan, H.; Booker, R.; Simpson, L. J.; O'Neill, K. J.; Parilla, P. A.; Heben, M. J.; Pasquali, M.; Kittrell, C.; Tour, J. M. J. Am. Chem. Soc. 2008, 131, 723.
37. Kubas, G. J. J. Organomet. Chem. 2001, 635, 37.
38. Kresse, G.; Furthmüller, J. Phys. Rev. B 1996, 54, 11169.
39. Kresse, G.; Joubert, D. Phys. Rev. B 1999, 59, 1758.
40. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
41. Ferre-Vilaplana, A. J. Chem. Phys. 2005, 122, 104709.
42. Park, N.; Lim, S.; Kim, G.; Jhi, S.-H. 2008.
43. Shirasaki, T.; Derre, A.; Menetrier, M.; Tressaud, A.; Flandrois, S. Carbon 2000, 38, 1461.
44. Gai, P. L.; Stephan, O.; McGuire, K.; Rao, A. M.; Dresselhaus, M. S.; Dresselhausf, G.; Colliexc, C. J. Mater. Chem. 2004, 14, 669.
45. Fuentes, G. G.; Borowiak-Palen, E.; Knupfer, M.; Pichler, T.; Fink, J. Phys. Rev. B 2004, 69, 245403.