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Molecular quadrupole moments promote ground-state charge generation in doped organic semiconductors

Abstract:
The role of local environmental interactions on the generation of free charge carriers in doped organic layers is investigated. Via a classical micro‐electrostatic model, a dual effect of molecular quadrupole moments of host and dopant molecules on doping is demonstrated. Namely, electrostatic interactions ease ionization of the dopant by altering the energy level alignment between the host and the dopant and reduce the barrier for charge dissociation by flattening the energy landscape around the ionized dopants. These results indicate that tailoring molecular quadrupole moments of the host and/or dopant are an attractive strategy toward improved doping efficiency in organic semiconductors.
Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1002/adfm.202004600

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Physics
Sub department:
Condensed Matter Physics
Role:
Author
ORCID:
0000-0002-7062-8077
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Physics
Sub department:
Condensed Matter Physics
Role:
Author
ORCID:
0000-0002-5399-5510


Publisher:
Wiley
Journal:
Advanced Functional Materials More from this journal
Volume:
30
Issue:
45
Article number:
2004600
Publication date:
2020-09-09
Acceptance date:
2020-07-15
DOI:
EISSN:
1616-3028
ISSN:
1616-301X


Language:
English
Keywords:
Pubs id:
1133369
Local pid:
pubs:1133369
Deposit date:
2020-12-09

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