Modelling of charge carrier mobility for transport between elastic polyacetylene-like polymer nanorods
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F17%3A00473180" target="_blank" >RIV/61389013:_____/17:00473180 - isvavai.cz</a>
Alternative codes found
RIV/68378271:_____/17:00473180
Result on the web
<a href="http://dx.doi.org/10.13168/cs.2017.0007" target="_blank" >http://dx.doi.org/10.13168/cs.2017.0007</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.13168/cs.2017.0007" target="_blank" >10.13168/cs.2017.0007</a>
Alternative languages
Result language
angličtina
Original language name
Modelling of charge carrier mobility for transport between elastic polyacetylene-like polymer nanorods
Original language description
A quantum model solving the charge carrier mobility between polyacetylene-like polymer nanorods is presented. The model assumes: a) Quantum mechanical calculation of hole on-chain delocalization involving electron-phonon coupling leading to the Peierls instability, b) Hybridization coupling between the polymer backbone and side-groups (or environmental states), which act as hole traps, and c) Semiclassical description of the inter-chain hole transfer in an applied voltage based on Marcus theory. We have found that mobility resonantly depends on the hybridization coupling between polymer and linked groups. We observed also non-trivial mobility dependences on the difference of energies of the highest occupied molecular orbitals localized on the polymer backbone and side-groups, respectively, and hole concentration. Those findings are important for optimization of hybrid opto-electronic devices.
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
10403 - Physical chemistry
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
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Ceramics - Silikáty
ISSN
0862-5468
e-ISSN
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Volume of the periodical
61
Issue of the periodical within the volume
2
Country of publishing house
CZ - CZECH REPUBLIC
Number of pages
9
Pages from-to
127-135
UT code for WoS article
000400721800007
EID of the result in the Scopus database
2-s2.0-85018518687