Publications of Axel Groß

Groß, A.; Scheffler, M.: Dynamics of hydrogen dissociation at the sulfur-covered Pd(100) surface. Physical Review B 61 (12), pp. 8425 - 8432 (2000)

Eichler, A.; Hafner, J.; Groß, A.; Scheffler, M.: Trends in the chemical reactivity of surfaces studied by ab initio quantum-dynamics calculations. Physical Review B 59 (20), pp. 13297 - 13300 (1999)

Groß, A.; Scheffler, M.; Mehl, M. J.; Papaconstantopoulos, D. A.: Ab initio based tight-binding Hamiltonian for the dissociation of molecules at surfaces. Physical Review Letters 82 (6), pp. 1209 - 1212 (1999)

Groß, A.: Hydrogen dissociation on metal surfaces - a model system for reactions on surfaces. Applied Physics A 67 (6), pp. 627 - 635 (1998)

Groß, A.: Reactions at surfaces studied by ab initio dynamics calculations. Surface Science Reports 32 (8), pp. 291 - 340 (1998)

Groß, A.; Scheffler, M.: Ab initio quantum and molecular dynamics of the dissociative adsorption of hydrogen on Pd(100). Physical Review B 57 (4), pp. 2493 - 2506 (1998)

Groß, A.; Wei, C.-M.; Scheffler, M.: Poisoning of hydrogen dissociation at Pd(100) by adsorbed sulfur studied by ab initio quantum dynamics and ab initio molecular dynamics. Surface Science 416 (1-2), pp. L1095 - L1100 (1998)

Wei, C. M.; Groß, A.; Scheffler, M.: Ab initio calculation of the potential energy surface for the dissociation of H₂ on the sulfur-covered Pd(100) surface. Physical Review B 57 (24), pp. 15572 - 15584 (1998)

Brenig, W.; Groß, A.; Höfer, U.; Russ, R.: Adsorption-desorption of H₂/Si: A 5-D dynamical model. Physica Status Solidi (A) 159, pp. 75 - 90 (1997)

Groß, A.; Bockstedte, M.; Scheffler, M.: Ab initio molecular dynamics study of the desorption of D₂ from Si(100). Physical Review Letters 79 (4), pp. 701 - 704 (1997)

Groß, A.; Scheffler, M.: Role of zero-point effects in catalytic reactions involving hydrogen. Journal of Vacuum Science and Technology A 15 (3), pp. 1624 - 1629 (1997)

Groß, A.; Scheffler, M.: Steering and ro-vibrational effects on dissociative adsorption and associative desorption of H₂Pd(100). Progress in Surface Science 53 (2-4), pp. 187 - 196 (1997)

Bratu, P.; Brenig, W.; Groß, A.; Hartmann, M.; Höfer, U.; Kratzer, P.; Russ, R.: Reaction dynamics of molecular hydrogen on silicon surfaces. Physical Review B 54 (8), pp. 5978 - 5991 (1996)

Groß, A.: Dynamical quantum processes of molecular beams at surfaces: Dissociative adsorption of hydrogen on metal surfaces. Surface Science 363, pp. 1 - 10 (1996)

Groß, A.; Scheffler, M.: Influence of molecular vibrations on dissociative adsorption. Chemical Physics Letters 256 (4-5), pp. 417 - 423 (1996)

Groß, A.; Scheffler, M.: Scattering of hydrogen molecules from a reactive surface: strong off-specular and rotationally inelastic diffraction. Chemical Physics Letters 263 (3-4), pp. 567 - 573 (1996)

Groß, A.; Scheffler, M.: Gross and Scheffler Reply. Physical Review Letters 77 (2), p. 405 - 405 (1996)

Groß, A.; Wilke, S.; Scheffler, M.: Six-dimensional quantum dynamics of adsorption and desorption of H₂ at Pd(100): no need for a molecular precursor adsorption state. Surface Science 357-358, pp. 614 - 618 (1996)

Brenig, W.; Groß, A.; Russ, R.: Numerically stable solution of coupled channel equations: The wave function. Zeitschrift für Physik B 97, pp. 311 - 317 (1995)

Groß, A.: The role of lateral surface corrugation for the quantum dynamics of dissociative adsorption and associative desorption. Journal of Chemical Physics 102, pp. 5045 - 5058 (1995)