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공공누리This item is licensed Korea Open Government License

dc.contributor.author
류홍광
dc.contributor.author
이진용
dc.date.accessioned
2019-08-28T07:41:02Z
dc.date.available
2019-08-28T07:41:02Z
dc.date.issued
2011-06-13
dc.identifier.issn
1520-6106
dc.identifier.uri
https://repository.kisti.re.kr/handle/10580/13969
dc.identifier.uri
http://www.ndsl.kr/ndsl/search/detail/article/articleSearchResultDetail.do?cn=NART56747193
dc.description.abstract
Organic semiconductors to date having cofacial stacking
motif are scarce compared to those having herringbone motif. Recently,
Ahmed and co-workers have reported a series of novel n-type bisindenoanthrazolines
(BIDAs) [Chem. Mater. 2010, 22, 5786], among which
DADF and DADK adopt different slipped cofacial arrangements exhibiting
distinct electron transport abilities. Here, we performed computational
studies to understand the relationship between charge transport and
molecular packing for these BIDAs molecules. This work focuses on the
intrinsic molecular factors required for efficient and long-range charge
transfer. Unlike the previous studies only focusing the charge injection
barriers or the carrier mobilities, herein, we present the notion that lower electron injection barrier and higher intrinsic electron
mobility should be both satisfied to achieve better n-type OFETs. We also note that the actual mobility can be significantly
underestimated due to the limitation of the space-charge limited current method. Through computational modeling, we rationalized
the superior electron conductivity of DADK and also shed light on the favorable or undesirable properties for efficient charge
transport of BIDAs. Another key finding is that the intrinsic electron and hole mobilities are quite deviated from each other rather
than comparable in current mobility calculations.
dc.language
eng
dc.relation.ispartofseries
The Journal of Physical Chemistry B
dc.title
Charge transport properties of stacking bisindenoanthrazolines: DFT studies
dc.citation.endPage
8416
dc.citation.number
26
dc.citation.startPage
8409
dc.citation.volume
115
dc.subject.keyword
charge transfer
dc.subject.keyword
BIDS
dc.subject.keyword
DFT study
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7. KISTI 연구성과 > 학술지 발표논문
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