期刊
ADVANCED MATERIALS
卷 16, 期 18, 页码 1624-+出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/adma.200400402
关键词
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Ab-initio calculations have been used to show, via a rigorous treatment of molecular topology and substitution effects, that the position of frontier molecular orbitals (MOs) and the singlet-triplet energy gap in carbazolespiro derivatives can be tuned almost independently, thus providing a way to insure efficient charge injection while maintaining a high-energy triplet state.
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