Monte Carlo variational transition‐state theory study of recombination and desorption of hydrogen on Si(111)
A variational transition‐state theory study of the recombination/desorption rate of H2 from a Si(111) surface using a previously described Monte Carlo procedure [J. Chem. Phys. 8 3, 1389 (1985)] is reported. The potential‐energy surface is expressed as the sum of a lattice potential, a lattice‐adato...
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| Médium: | Článek |
| Jazyk: | English |
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American Institute of Physics (AIP)
1986
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| On-line přístup: | http://irep.iium.edu.my/35144/1/JCP1986.pdf |