Electric field dependence of charge mobility in linear conjugated polymers

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F18%3A00490817" target="_blank" >RIV/61389013:_____/18:00490817 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1007/s11696-018-0448-0" target="_blank" >http://dx.doi.org/10.1007/s11696-018-0448-0</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s11696-018-0448-0" target="_blank" >10.1007/s11696-018-0448-0</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Electric field dependence of charge mobility in linear conjugated polymers

Popis výsledku v původním jazyce

A combined quantum mechanical and semi-classical approach was used for the description of the charge carrier transport, taking into account realistic microscopic lamellar structure present in many common conjugated polymers. Unlike previous theoretical models that consider a polymer as a 3D point lattice of single-state sites or model the polymer chain as a molecule with single charge state, our molecular-scale model takes into account the density of states of conjugated polymer chain segments determined using a quantum–mechanical tight-binding model. Because of the relatively fast charge carrier delocalization on the conjugated polymer chain segments, the short-distance on-chain motion is separated from the slower inter-chain hopping. Inter-chain hopping rates, described by means of the Marcus theory, are calculated self-consistently with the chain segment occupation. The present model describes the electric field dependence of the hole mobility in conjugated polymers and includes the influence of the transverse electric field, which is important for simulation of the gate-voltage dependences of the charge carrier transport in organic field effect transistors.

Název v anglickém jazyce

Electric field dependence of charge mobility in linear conjugated polymers

Popis výsledku anglicky

A combined quantum mechanical and semi-classical approach was used for the description of the charge carrier transport, taking into account realistic microscopic lamellar structure present in many common conjugated polymers. Unlike previous theoretical models that consider a polymer as a 3D point lattice of single-state sites or model the polymer chain as a molecule with single charge state, our molecular-scale model takes into account the density of states of conjugated polymer chain segments determined using a quantum–mechanical tight-binding model. Because of the relatively fast charge carrier delocalization on the conjugated polymer chain segments, the short-distance on-chain motion is separated from the slower inter-chain hopping. Inter-chain hopping rates, described by means of the Marcus theory, are calculated self-consistently with the chain segment occupation. The present model describes the electric field dependence of the hole mobility in conjugated polymers and includes the influence of the transverse electric field, which is important for simulation of the gate-voltage dependences of the charge carrier transport in organic field effect transistors.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10404 - Polymer science

Projekt

<a href="/cs/project/LO1507" target="_blank" >LO1507: Polymery pro pokročilé technologie i kvalitnější život</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2018

Kód důvěrnosti údajů

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

Název periodika

Chemical Papers

ISSN

0366-6352

e-ISSN

—

Svazek periodika

72

Číslo periodika v rámci svazku

7

Stát vydavatele periodika

SK - Slovenská republika

Počet stran výsledku

10

Strana od-do

1719-1728

Kód UT WoS článku

000435829800015

EID výsledku v databázi Scopus

2-s2.0-85048859613