Influence of acceptor on charge mobility in stacked .pi.-conjugated polymers
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F18%3A00482877" target="_blank" >RIV/61389013:_____/18:00482877 - isvavai.cz</a>
Alternative codes found
RIV/68378271:_____/18:00482877
Result on the web
<a href="http://dx.doi.org/10.1016/j.chemphys.2017.11.016" target="_blank" >http://dx.doi.org/10.1016/j.chemphys.2017.11.016</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.chemphys.2017.11.016" target="_blank" >10.1016/j.chemphys.2017.11.016</a>
Alternative languages
Result language
angličtina
Original language name
Influence of acceptor on charge mobility in stacked .pi.-conjugated polymers
Original language description
We present a quantum molecular model to calculate mobility of .pi.-stacked P3HT polymer layers with electron acceptor dopants coupled next to side groups in random position with respect to the linear chain. The hole density, the acceptor LUMO energy and the hybridization transfer integral between the acceptor and polymer were found to be very critical factors to the final hole mobility. For a dopant LUMO energy close and high above the top of the polymer valence band we have found a significant mobility increase with the hole concentration and with the dopant LUMO energy approaching the top of the polymer valence band. Higher mobility was achieved for small values of hybridization transfer integral between polymer and the acceptor, corresponding to the case of weakly bound acceptor. Strong couplings between the polymer and the acceptor with Coulomb repulsion interactions induced from the electron localizations was found to suppress the hole mobility.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemical Physics
ISSN
0301-0104
e-ISSN
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Volume of the periodical
501
Issue of the periodical within the volume
14 February
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
7
Pages from-to
8-14
UT code for WoS article
000426452900002
EID of the result in the Scopus database
2-s2.0-85037153918