Abstract
The states of hydrogen and tritium chemisorbed on a Ni(100) surface are investigated, at various temperatures, using quantum path- integral molecular dynamics simulations. Following a brief description of the method we present results which demonstrate clearly the quantum nature of adsorbed hydrogen, and it’s isotopes, at all temperatures.
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Landman, U., Barnett, R.N., Cleveland, C.L., Nordlander, P. (1986). The Chemisorbed State of Hydrogen on a Metal Surface Studied via Quantum Path Integral Molecular Dynamics Simulations. In: Jortner, J., Pullman, B. (eds) Tunneling. The Jerusalem Symposia on Quantum Chemistry and Biochemistry, vol 19. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-4752-8_21
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DOI: https://doi.org/10.1007/978-94-009-4752-8_21
Publisher Name: Springer, Dordrecht
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