Adsorption of Toluene on Si(100) from First Principles


Article Preview



Materials Science Forum (Volumes 433-436)

Edited by:

Peder Bergman and Erik Janzén




F. Costanzo et al., "Adsorption of Toluene on Si(100) from First Principles", Materials Science Forum, Vols. 433-436, pp. 575-578, 2003

Online since:

September 2003




[1] a)J.R. Arthur Surf. Sci. Vol. 500 (2002), p.189.

[2] M.K. Weldon, K.T. Queeney, J. Eng Jr., K. Raghavachari, Y.J. Chabal Surf. Sci. Vol. 500 (2002), p.859.

[3] J.T. Yates, Jr. Science Vol. 279 (1998) p.5349.

[4] J.S. Hovis and R.J. Hamers J. Phys. Chem. B Vol. 101 (1997), p.9581.

[5] R.P. Devaty, J.A. Edmond, M.A. Khan, R. Kaplan and M. Rahman (Institue of Physics, Bristol, 1994): Silicon Carbide and Related Materials, (edited by M.G. Spencer).

[6] B. Borovsky, M. Krueger and E. Ganz J. Vac. Sci. Tech. B17 Vol. 1 (1999), p.7.

[7] S.K. Coulter J.S. Hovis, M. D. Ellison and R.J. Hamers J. Vac. Sci. Tech. A18 Vol. 4 (2000), p. (1965).

[8] R. Car and M. Parrinello Phys. Rew. Lett. Vol. 55 (1985), p.2471.

[9] J.P. Perdew, K. Burke and M. Ernzerhof Phys. Rev. Lett. Vol. 77 (1996), p.3865.

[10] D.C. Sorescu, and K.D. Jordan J. Phys. Chem. B Vol. 104 (2000), p.8259.

[11] P. Nachtigall, K.D. Jordan, A. Smith and H. Jónsson J. Chem. Phys. Vol. 104 (1996), p.148.

[12] N. Troullier and J. Martins Phys. Rev. B Vol. 43 (1991), p. (1993).

[13] J. Hutter, H.P. Lüthi and M. Parrinello Comp. Mater. Sci. Vol. 2 (1994), p.244.

[14] P. Silvestrelli, F. Ancilotto and F. Toigo Phys. Rew. B Vol. 62 (2000), p.1596.

[15] A.J. Dyson and P. V Smith Surf. Sci. Vol. 355 (1996), p.140.

[16] G.T. Wang, C. Mui, C.B. Musgrave and S.F. Bent J. Am. Chem. Soc. Vol. 124 (2002), p.8990.