Our recent work on surface processes include

         Review.1,2

         Surface photodissociation and scattering.3-11 12-14

         Photo- and electron-induced desorption processes.15-21

         Hot electron induced vibrational relaxation.22,23

References:

1.         Guo, H. in Comparisons of Classical and Quantum Dynamics (ed. Hase, W. L.) (JAI Press, Stamford, CT, 1998).

2.         Guo, H., Saalfrank, P. & Seideman, T. Theory of photoinduced surface reactions of admolecules. Prog. Surf. Sci. 62, 239 (1999).

3.         Huang, Z.-H. & Guo, H. Dynamical simulations of the photodissociation of CH3Br on LiF(001) surface. J. Chem. Phys. 97, 2110 (1992).

4.         Huang, Z.-H. & Guo, H. Simulation of photodissociation dynamics of HBr adsorbed on a LiF(001) surface. J. Chem. Phys. 96, 8564 (1992).

5.        Huang, Z.-H. & Guo, H. The orientation of adsorbed methyl halides on a LIF(001) surface: A Monte Carlo study. J. Chem. Phys. 98, 7412 (1993).

6.         Huang, Z.-H. & Guo, H. Theoretical modeling of photodissociation dynamics of CH3I on LiF(001). J. Chem. Phys. 98, 3395 (1993).

7.         Huang, Z.-H. & Guo, H. A novel method for simulating atoms and molecules interacting with ionic surfaces. Surf. Sci. 286, 182 (1993).

8.         Fang, J.-Y. & Guo, H. Multiconfiguration time-dependent Hartree studies of the CH3I-MgO photodissociation dynamics. J. Chem. Phys. 101, 5831 (1994).

9.         Fang, J.-Y. & Guo, H. Exact quantum and time-dependent Hartree studies of the HBr-LiF(001) photodissociation dynamics. J. Chem. Phys. 101, 1231 (1994).

10.       Fang, J.-Y. & Guo, H. Four-dimensional quantum dynamics of the CH3I-MgO photodissociation. Chem. Phys. Lett. 235, 341 (1995).

11.       Seideman, T. & Guo, H. Photodissociation of HCl+/MgO(001): The static and dynamic effects of the surface. J. Chem. Phys. 103, 2745 (1995).

12.       Setzler, J. V., Huang, Z.-H. & Guo, H. Theoretical modeling of photodissociation dynamics of CH3I on MgO(001). J. Chem. Phys. 103, 4300 (1995).

13.       Setzler, J. V., Guo, H. & Schatz, G. C. Photo-initiated chemical reaction dynamics between aligned adsorbates on solid surfaces: Theoretical exploration of the H +CO2 reaction on LiF(001). J. Phys. Chem. B101, 5352 (1997).

14.       Setzler, J. V., Bechtel, J., Guo, H. & Schatz, G. C. A further theoretical exploration of a photo-initiated surface-aligned H+CO2 reaction on LiF(001): the surface motion and temperature effect. J. Chem. Phys. 107, 9176 (1997).

15.       Seideman, T. & Guo, H. Theory of desorption by electronic transitions II: the strong interaction regime. J. Chem. Phys. 107, 8627 (1997).

16.       Liu, L., Guo, H. & Seideman, T. A coherent transition model for photodesorption from metals: NH3/Cu. J. Chem. Phys. 104, 8757 (1996).

17.       Guo, H. & Liu, L. Perturbative treatments of photo-stimulated desorption and dissociation on metal surfaces induced by single and multiple electronic excitations. Surf. Sci. 372, 337 (1997).

18.       Guo, H. & Chen, F. Dynamics of substrate mediated desorption: The role of the excited state potential. Faraday Disc. Chem. Soc. 108, 309 (1997).

19.       Guo, H. & Ma, G. Dissipative quantum dynamics in energy representation: photodesorption of NO from metals. J. Chem. Phys. 111, 8595 (1999).

20.       Guo, H. & Ma, G. Effect of vibrational relaxation on DIET: A density matrix treatment. Surf. Sci. 451, 7 (2000).

21.       Ma, G. & Guo, H. Barrier crossing in a dissipative environment: a reduced density matrix treatment of STM-induced atom transfer dynamics. Chem. Phys. Lett. 317, 315 (2000).

22.       Liu, L. & Guo, H. Theoretical study of vibrational excitation of ammonia scattered from Cu surface. Chem. Phys. 179, 205 (1996).

23.       Li, S. & Guo, H. Monte Carlo wave packet study of vibrational deexcitation of NO scattered from a metal surface. J. Chem. Phys. 117, 4499 (2002).

 


 

Movies for the H+CO2 reaction on the LiF(001) surface

Movies for the O + Rg reaction on a Pt surface