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

作者：Aldahhak H; Schmidt W G; Rauls E^*

来源：Surface Science, 2013, 617: 242-248.

DOI：10.1016/j.susc.2013.08.003

• NaCl(100)
• KCl(100)
• PTCDA
• Self assembly
• Step edges
• Ab initio

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.

• 出版日期2013-11