Hole hopping in dimers of N,N′ di(1-naphthyl)-N,N′-diphenyl-4,4′-diamine (α-NPD): a theoretical study-Reference-Cited by-同舟云学术

Hole hopping in dimers of N,N′ di(1-naphthyl)-N,N′-diphenyl-4,4′-diamine (α-NPD): a theoretical study

Published:2020 Issue:6 Volume:22 Page:3539-3544
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Krysko Ilya Dmitrievich¹²³⁴⁵^ORCID,Freidzon Alexandra Yakovlevna¹²³⁴⁵^ORCID,Bagaturyants Alexander Alexandrovich¹²³⁴⁵^ORCID

Affiliation:

1. National Research Nuclear University MEPhI (Moscow Engineering Physics Institute)

2. Moscow 115409

3. Russia

4. Federal Research Center “Crystallography and Photonics” Photochemistry Center

5. Russian Academy of Sciences

Abstract

Hole-hopping parameters for Marcus-like charge transport, Marcus hole hopping rates, and hole mobilities are calculated for a series of model dimers of a typical hole-transporting material α-NPD using multireference quantum chemistry.

Funder

Russian Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP06455A

Reference33 articles.

1. From charge transport parameters to charge mobility in organic semiconductors through multiscale simulation

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