most citedCoverage dependence of the 1-propanol adsorption on the Si(001) surface and fragmentation dynamics

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cond-mat.mtrl-sci2006★ 14 cited

Coverage dependence of the 1-propanol adsorption on the Si(001) surface and fragmentation dynamics

Jian-Ge Zhou, Frank Hagelberg, Chuanyun Xiao

The geometric, electronic, energetic, and dynamic properties of 1-propanol adsorbed on the Si(001)-2x1 surface are studied from first principles by use of a slab approach. The 1-pr…