Electronic structure of metal quinoline molecules fromG0W0calculations
نویسندگان
چکیده
منابع مشابه
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