Title of article :
Two-dimensional arrangement of CH3NH2 adsorption on Si(0 0 1)-2 × 1
Author/Authors :
Wang، نويسنده , , Yun and Hwang، نويسنده , , Gyeong S. Hwang، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2004
Pages :
5
From page :
144
To page :
148
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.
Journal title :
Chemical Physics Letters
Serial Year :
2004
Journal title :
Chemical Physics Letters
Record number :
1783009
Link To Document :
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