Induced interfacial dipole layer at an interface between an organic molecule and metal surface has an important impact on devices operations and its fundamental mechanism is essential to be resolve. In present work, we use efficient simulation techniques based on the density functional method to study the electronic structure properties of interfaces formed between a Al(1 10) surface and a short alkane;(C_nH_(2n-2)) at different adsorption sites considering changes in the geometrical orientations of the organic molecule over the metal surface. This study is supported by the kyoto prefecture for collaboration of regional entities for the advancement of technological excellence, Japan Science of Agency; JST.
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