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• W1990072316 abstract "The adsorption of CH3NH2 on Si(0 0 1)-2 × 1 is investigated using density functional theory slab calculations. When the CH3NH2 coverage is greater than 0.5 ML, we find that the adsorption energetics alter significantly due to a combination of: (i) adsorbate–adsorbate repulsive interactions, (ii) adsorbate-induced electronic structure changes of neighboring dimers, and (iii) hydrogen-bonding interactions. Our calculations show that, among them, adsorbate–adsorbate repulsion plays a major role in determining the two-dimensional ordering of CH3NH2 adsorption at the full coverage of 1.0 ML, leading the zigzag structure to be energetically more favorable than the aligned structure along the dimer row." @default.
• W1990072316 created "2016-06-24" @default.
• W1990072316 creator A5037015805 @default.
• W1990072316 creator A5087273177 @default.
• W1990072316 date "2004-02-01" @default.
• W1990072316 modified "2023-09-26" @default.
• W1990072316 title "Two-dimensional arrangement of CH3NH2 adsorption on Si(0 0 1)-2 × 1" @default.
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• W1990072316 doi "https://doi.org/10.1016/j.cplett.2003.12.083" @default.
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