Ab initio study of energy-level alignments in polymer-dye blends
article
Polymers with a small amount of dye blended in offer an attractive possibility to change the color of the emitted light by changing the dye. We present ab initio calculations within density-functional theory of the HOMO/ LUMO energies for dipyrrolomethane dyes, polyphenylenevinylene and polyfluorene. Special attention is paid to the trends in these energies with variation of the sidegroups of the dyes as observed in cyclic-voltammetry measurements. From the energy-level alignments between dye and polymer we can understand and predict electron and hole trapping, crucial processes for the functioning of light-emitting devices based on these blends.
TNO Identifier
237387
ISSN
00092614
Source
Chemical Physics Letters, 381(3-4), pp. 392-396.
Publisher
Elsevier
Collation
5 p.
Place of publication
Amsterdam
Pages
392-396
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