Adsorption of PTCDA on NaCl(100) and KCl(100)

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• 作者：H. Aldahhak ; W.G. Schmidt ; E. Rauls
• 关键词：NaCl(100) ; KCl(100) ; PTCDA ; Self assembly ; Step edges ; Ab initio
• 刊名：Surface Science
• 出版年：2013
• 出版时间：November, 2013
• 年：2013
• 卷：617
• 期：Complete
• 页码：242-248
• 全文大小：2563 K

文摘

The adsorption of PTCDA on KCl and NaCl(100) surfaces has been investigated by means of first principles calculations. Besides a variety of adsorbate structures for single molecules and a monolayer of flat lying molecules on plain terraces, the influence of monoatomic steps and the different defect site at step edges has been studied in detail.