Quantum study of laser-induced initial activation of graphite-to-diamond conversion

Journal of the American Chemical Society

Volumn 132, Issue 35, 2010, Pages 12166-12167

  Acocella, Angela ^a   Carbone, Fabrizio ^b   Zerbetto, Francesco ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BOND ORDERS; CHEMICAL BONDINGS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIAMOND-LIKE; ELECTRONIC WAVE FUNCTIONS; FEMTOSECONDS; FLUENCES; LASER FIELDS; LASER INDUCED; LASER IRRADIATIONS; QUANTUM DYNAMICS; QUANTUM STUDY; STATIONARY STATE; STRUCTURAL CHANGE; STRUCTURAL REARRANGEMENT; TEMPORAL RESOLUTION; TWO-REGIME; ULTRA-FAST PROCESS;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ENERGY DISSIPATION; GRAPHITE; LASER EXCITATION; LASER THEORY; QUANTUM THEORY;

ELECTRON ENERGY LOSS SPECTROSCOPY;

DIAMOND; GRAPHITE;

ARTICLE; CHEMICAL BINDING; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTROMAGNETIC RADIATION; ELECTRON ENERGY LOSS SPECTROSCOPY; EXCITATION; HYBRIDIZATION; LASER; MELTING POINT; QUANTUM MECHANICS;

DIAMOND; GRAPHITE; LASERS; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY;

EID: 77956257780     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja102497z     Document Type: Article

References (31)

1. Ferenc, K. and Misha, I. Rev. Mod. Phys. 2009, 81, 163
2. Zewail, A. H. Angew. Chem., Int. Ed. 2000, 39, 2586
3. Jeschke, H. O., Garcia, M. E., and Bennemann, K. H. Phys. Rev. Lett. 2001, 87 015003
4. Raman, K. R., Murooka, Y., Yang, T., Berber, S., and Tomanek, D. Phys. Rev. Lett. 2008, 101 077401
5. Carbone, F., Baum, P., Rudolf, P., and Zewail, A. H. Phys. Rev. Lett. 2008, 100 035501
6. Breusing, M., Ropers, C., and Elsaesser, Th. Phys. Rev. Lett. 2009, 102 086809
7. Utsumi, W. and Yagi, T. Science 1991, 252, 1542
8. Carbone, F., Kwon, O.-H., and Zewail, A. H. Science 2009, 325, 181
9. Carbone, F., Barwick, B., Kwon, O.-H., Park, H. S., Baskin, J. S., and Zewail, A. H. Chem. Phys. Lett. 2009, 468, 107
10. Allen, R. E. Phys. Rev. B 1994, 50, 18629
11. Jones, G. A., Acocella, A., and Zerbetto, F. J. Phys. Chem. A 2008, 112, 9650
12. Jones, G. A., Acocella, A., and Zerbetto, F. Theor. Chem. Acc. 2007, 118, 99
13. Acocella, A., Jones, G. A., and Zerbetto, F. J. Phys. Chem. A 2006, 110, 5164
14. Fahy, S., Louie, S. G., and Cohen, M. L. Phys. Rev. B 1986, 34, 1191
15. Fahy, S., Louie, S. G., and Cohen, M. L. Phys. Rev. B 1987, 35, 7623
16. Frisch, M. J.; et al. Gaussian 09, Revision A.1; Gaussian, Inc: Wallingford CT, 2009.
17. Heyd, J., Scuseria, G. E., and Ernzerhof, M. J. Chem. Phys. 2003, 118, 8207
18. Heyd, J., Scuseria, G. E., and Ernzerhof, M. J. Chem. Phys. 2006, 124, 219906.
19. Izmaylov, A. F., Scuseria, G. E., and Frisch, M. J. J. Chem. Phys. 2006, 125, 104103
20. Heyd, J. and Scuseria, G. E. J. Chem. Phys. 2004, 121, 1187
21. Heyd, J., Peralta, J. E., and Scuseria, G. E. J. Chem. Phys. 2005, 123, 174101
22. Brothers, E. N., Izmaylov, A. F., Normand, J. O., Barone, V., and Scuseria, G. E. J. Chem. Phys. 2008, 129 011102
23. Barone, V., Peralta, J. E., Wert, M., Heyd, J., and Scuseria, G. E. Nano Lett. 2005, 5, 1621
24. Barone, V., Peralta, J. E., and Scuseria, G. E. Nano Lett. 2005, 5, 1830
25. Barone, V., Hod, O., and Scuseria, G. E. Nano Lett. 2006, 6, 2748
26. Bridgeman, A. J., Cavigliasso, G., Ireland, L. R., and Rothery, J. J. Chem. Soc., Dalton Trans. 2001, 2095
27. Wiberg, K. A. Tetrahedron Lett. 1968, 24, 1083
28. Kalinowski, J. A., Lesyng, B., Thompson, J. D., Cramer, C. J., and Truhlar, D. G. J. Phys. Chem. A 2004, 108, 2545
29. Bochicchio, R. C. and Reale, H. F. J. Phys. B: At. Mol. Opt. Phys. 1993, 26, 4871
30. Pauling, L. The nature of the Chemical Bond, 3rd ed.: Cornell University Press: Ithaca, NY, 1960.
31. Bressler, C., Abela, R., and Chergui, M. Z. Kristallogr. 2008, 223