TY - JOUR
T1 - Optical model of dissociative chemisorption
T2 - H2 on the (111), (110), and (100) faces of copper
AU - Farrelly, David
AU - Levine, R. D.
PY - 1992
Y1 - 1992
N2 - The recently developed optical model of gas-surface scattering is applied to dissociative chemisorption of a hydrogen molecule on different faces of a copper crystal. In each case, a potential of mean force is employed to describe the real part of the scattering potential. The probability of dissociative chemisorption is studied as a function of crystal face, total collision energy, parallel momentum, initial orientation of the molecule with respect to the surface, and surface temperature. The optical model is able to provide excellent qualitative agreement with experimental observations and detailed theoretical calculations.
AB - The recently developed optical model of gas-surface scattering is applied to dissociative chemisorption of a hydrogen molecule on different faces of a copper crystal. In each case, a potential of mean force is employed to describe the real part of the scattering potential. The probability of dissociative chemisorption is studied as a function of crystal face, total collision energy, parallel momentum, initial orientation of the molecule with respect to the surface, and surface temperature. The optical model is able to provide excellent qualitative agreement with experimental observations and detailed theoretical calculations.
UR - http://www.scopus.com/inward/record.url?scp=2542550459&partnerID=8YFLogxK
U2 - 10.1063/1.463101
DO - 10.1063/1.463101
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AN - SCOPUS:2542550459
SN - 0021-9606
VL - 97
SP - 2139
EP - 2148
JO - The Journal of Chemical Physics
JF - The Journal of Chemical Physics
IS - 3
ER -