Inter-chain charge carrier mobility in conjugated polymers doped with polar additives

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F10%3A00349359" target="_blank" >RIV/61389013:_____/10:00349359 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Inter-chain charge carrier mobility in conjugated polymers doped with polar additives

Popis výsledku v původním jazyce

Charge carrier mobility in polymers doped by photochromic additives is studied using a combined quantum mechanical / quasi-classical model. The energy spectrum of the polymer on-chain charge carrier states is determined by means of the solution of the Schrödinger equation with a tight-binding Hamiltonian. Subsequently, the inter-chain charge carrier hopping is modeled using quasi-classical Marcus approach, taking into account the charge carrier thermalization. The proposed model predicts a strong dependence of the charge carrier mobility on the local energetic disorder, which can be influenced by polar photochromic additives. Doubling of the local energetic disorder during the photochromic reaction of the additive causes the decrease of the inter-chaincharge carrier mobility by up to several orders of magnitude. These results confirm the possibility to construct an efficient optoelectrical switch based on a polymer doped with a photochromic polar additive.

Název v anglickém jazyce

Inter-chain charge carrier mobility in conjugated polymers doped with polar additives

Popis výsledku anglicky

Charge carrier mobility in polymers doped by photochromic additives is studied using a combined quantum mechanical / quasi-classical model. The energy spectrum of the polymer on-chain charge carrier states is determined by means of the solution of the Schrödinger equation with a tight-binding Hamiltonian. Subsequently, the inter-chain charge carrier hopping is modeled using quasi-classical Marcus approach, taking into account the charge carrier thermalization. The proposed model predicts a strong dependence of the charge carrier mobility on the local energetic disorder, which can be influenced by polar photochromic additives. Doubling of the local energetic disorder during the photochromic reaction of the additive causes the decrease of the inter-chaincharge carrier mobility by up to several orders of magnitude. These results confirm the possibility to construct an efficient optoelectrical switch based on a polymer doped with a photochromic polar additive.

Druh

C - Kapitola v odborné knize

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/IAA401770601" target="_blank" >IAA401770601: Elektronové procesy na molekulární úrovni v látkách vhodných pro organické fotocitlivé součástky</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2010

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název knihy nebo sborníku

MetaCentrum Yearbook 2009

ISBN

978-80-904173-7-3

Počet stran výsledku

7

Strana od-do

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Počet stran knihy

172

Název nakladatele

CESNET

Místo vydání

Prague

Kód UT WoS kapitoly

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