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Adsorption of PTCDA and C60 on KBr(001): electrostatic interaction versus electronic hybridization

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arxiv 1303.6069 v1 pith:VYL47M3W submitted 2013-03-25 cond-mat.mtrl-sci

Q. Jia , W. Ji , S. A. Burke , H. J. Gao , P. Grutter , H. Guo This is my paper · ORCID
classification cond-mat.mtrl-sci
keywords ptcdaadsorptionelectronicelectronicsinteractionmoleculesadoptedadsorbed
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The adsorption of functional molecules on insulator surfaces is of great importance to molecular electronics. We present a systematical investigation of geometric and electronic properties of PTCDA and C60 on KBr(001) using DFT and non-contact atomic force microscopy. It was found that electrostatics is the primary interaction mechanism for PTCDA and C60 adsorbed on KBr. It was thus concluded that alkali-halides is a competitive candidate to be adopted to support low polarizability molecules, such as PTCDA, in future electronics.

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