Electronic structure of metal quinoline molecules fromG0W0calculations

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Electronic structure of metal quinoline molecules from G0W0 calculations

The photoemission spectra of four different metal quinoline molecules, namely, the prototypical tris(8hydroxyquinolinato)-aluminum(III) (Alq3) complex and the related compounds Gaq3, Inq3, and tris-(9hydroxyphenalen-1oate)-aluminum(III) [Al(OP)3] are compared to the electronic structure computed with different first-principles methods. In general, we found that, for Alq3, Gaq3, and Inq3, the mo...

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ژورنال

عنوان ژورنال: Physical Review B

سال: 2014

ISSN: 1098-0121,1550-235X

DOI: 10.1103/physrevb.89.245137