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The Adsorption of Cu Atoms on Fe20(111) face : A Computational Study.

The Adsorption of Cu Atoms on Fe20(111) face : A Computational
Study

Hendrizal, Syukri Arif, Therisia Sita Kusuma
Chemistry Division Pascasarjana Unand
Kampus Unand Limau Manis Padang, 25163

ABSTRACT
The Calzaferri program, work on Pentium 4, had been used to study adsorption of Cu
atoms on the Fe(III) face. This face consisted of 3 layer and 20 atoms. Result these
computation showed that Cu was adsorbed in 3 bridge model ( 1 bridge, 2 bridge and 4
bridge). Result Cu atoms came to Fe surface majority was adsorbed and few formed
alloy.

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