Publications of Axel Groß

1999

Journal Article

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

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Journal Article

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

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1998

Journal Article

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

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Journal Article

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

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Journal Article

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

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Journal Article

A. Groß, C.-M. Wei and M. Scheffler: 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), L1095–L1100 (1998).

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Journal Article

C.M. Wei, A. Groß and M. Scheffler: 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), 15572–15584 (1998).

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1997

Journal Article

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

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Journal Article

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

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Journal Article

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

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Journal Article

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

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1996

Journal Article

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

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Journal Article

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

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Journal Article

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

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Journal Article

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

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Journal Article

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

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Journal Article

A. Groß, S. Wilke and M. Scheffler: 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, 614–618 (1996).

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