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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 22, Number 8
BKCSDE 22(8)
August 20, 2001 

Reaction of Gas-Phase Bromine Atom with Chemisorbed Hydrogen Atoms on a Silicon(100)-(2×1) Surface
Jongbaik Ree, Kyung Soon Chang, Kyeong Hwan Moon, Yoo Hang Kim
Bromine, Hydrogen, Silicon, Eley-Rideal, Hot-atom.
The reaction of gas-phase atomic bromine with highly covered chemisorbed hydrogen atoms on a silicon surface is studied by use of the classical trajectory approach. It is found that the major reaction is the formation of HBr(g), and it proceeds through two modes, that is, direct Eley-Rideal and hot-atom mechanism. The HBr formation reaction takes place on a picosecond time scale with most of the reaction exothermicity depositing in the product vibration and translation. The adsorption of Br(g) on the surface is the second most efficient reaction pathway. The total reaction cross sections are 2.53Å2 for the HBr formation and 2.32Å2 for the adsorption of Br(g) at gas temperature 1500 K and surface temperature 300 K.
889 - 896
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