The role of charge-transfer integral in determining and engineering the carrier mobilities of 9,10-di(2-naphthyl)anthracene compounds

S. C. Tse; Shu Kong SO; M. Y. Yeung; C. F. Lo; S. W. Wen; C. H. Chen

doi:10.1016/j.cplett.2006.02.079

The role of charge-transfer integral in determining and engineering the carrier mobilities of 9,10-di(2-naphthyl)anthracene compounds

S. C. Tse, Shu Kong SO^*, M. Y. Yeung, C. F. Lo, S. W. Wen, C. H. Chen

^*Corresponding author for this work

Department of Physics

Research output: Contribution to journal › Journal article › peer-review

46 Citations (Scopus)

Abstract

The charge transporting properties of t-butylated 9,10-di(2-naphthyl)anthracene (ADN) compounds have been investigated experimentally and computationally in relation to their molecular structures. The ADN compounds are found to be ambipolar with both electron and hole mobilities in the range of 1-4 × 10^-7 cm² V^-1 s^-1 (electric field 0.5-0.8 MV/cm). As the degree of t-butylation increases, the carrier mobility decreases progressively. The mobility reduction was examined by Marcus theory of reorganization energies. All ADN compounds possess similar reorganization energies of ∼0.3 eV. The reduction of carrier mobilities with increasing t-butylation can be attributed to a decrease in the charge-transfer integral or the wavefunction overlap.

Original language	English
Pages (from-to)	354-357
Number of pages	4
Journal	Chemical Physics Letters
Volume	422
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2006.02.079
Publication status	Published - 10 May 2006

Scopus Subject Areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Access to Document

10.1016/j.cplett.2006.02.079

Cite this

@article{ee4ba722dbaf4117892aae7e2889448e,

title = "The role of charge-transfer integral in determining and engineering the carrier mobilities of 9,10-di(2-naphthyl)anthracene compounds",

abstract = "The charge transporting properties of t-butylated 9,10-di(2-naphthyl)anthracene (ADN) compounds have been investigated experimentally and computationally in relation to their molecular structures. The ADN compounds are found to be ambipolar with both electron and hole mobilities in the range of 1-4 × 10-7 cm2 V-1 s-1 (electric field 0.5-0.8 MV/cm). As the degree of t-butylation increases, the carrier mobility decreases progressively. The mobility reduction was examined by Marcus theory of reorganization energies. All ADN compounds possess similar reorganization energies of ∼0.3 eV. The reduction of carrier mobilities with increasing t-butylation can be attributed to a decrease in the charge-transfer integral or the wavefunction overlap.",

author = "Tse, {S. C.} and SO, {Shu Kong} and Yeung, {M. Y.} and Lo, {C. F.} and Wen, {S. W.} and Chen, {C. H.}",

note = "Funding Information: Support of this research by the Research Grant Council under Grant #HKBU/2173/04E is gratefully acknowledged. This work is partially supported by the Incentive Fund of the Physics Department of The Chinese University of Hong Kong (CUHK), and was performed in part using the supercomputing system in CUHK{\textquoteright}s ITSC.",

year = "2006",

month = may,

day = "10",

doi = "10.1016/j.cplett.2006.02.079",

language = "English",

volume = "422",

pages = "354--357",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier",

number = "4-6",

}

TY - JOUR

T1 - The role of charge-transfer integral in determining and engineering the carrier mobilities of 9,10-di(2-naphthyl)anthracene compounds

AU - Tse, S. C.

AU - SO, Shu Kong

AU - Yeung, M. Y.

AU - Lo, C. F.

AU - Wen, S. W.

AU - Chen, C. H.

N1 - Funding Information: Support of this research by the Research Grant Council under Grant #HKBU/2173/04E is gratefully acknowledged. This work is partially supported by the Incentive Fund of the Physics Department of The Chinese University of Hong Kong (CUHK), and was performed in part using the supercomputing system in CUHK’s ITSC.

PY - 2006/5/10

Y1 - 2006/5/10

N2 - The charge transporting properties of t-butylated 9,10-di(2-naphthyl)anthracene (ADN) compounds have been investigated experimentally and computationally in relation to their molecular structures. The ADN compounds are found to be ambipolar with both electron and hole mobilities in the range of 1-4 × 10-7 cm2 V-1 s-1 (electric field 0.5-0.8 MV/cm). As the degree of t-butylation increases, the carrier mobility decreases progressively. The mobility reduction was examined by Marcus theory of reorganization energies. All ADN compounds possess similar reorganization energies of ∼0.3 eV. The reduction of carrier mobilities with increasing t-butylation can be attributed to a decrease in the charge-transfer integral or the wavefunction overlap.

AB - The charge transporting properties of t-butylated 9,10-di(2-naphthyl)anthracene (ADN) compounds have been investigated experimentally and computationally in relation to their molecular structures. The ADN compounds are found to be ambipolar with both electron and hole mobilities in the range of 1-4 × 10-7 cm2 V-1 s-1 (electric field 0.5-0.8 MV/cm). As the degree of t-butylation increases, the carrier mobility decreases progressively. The mobility reduction was examined by Marcus theory of reorganization energies. All ADN compounds possess similar reorganization energies of ∼0.3 eV. The reduction of carrier mobilities with increasing t-butylation can be attributed to a decrease in the charge-transfer integral or the wavefunction overlap.

UR - http://www.scopus.com/inward/record.url?scp=33646131617&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2006.02.079

DO - 10.1016/j.cplett.2006.02.079

M3 - Journal article

AN - SCOPUS:33646131617

SN - 0009-2614

VL - 422

SP - 354

EP - 357

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4-6

ER -

The role of charge-transfer integral in determining and engineering the carrier mobilities of 9,10-di(2-naphthyl)anthracene compounds

Abstract

Scopus Subject Areas

Access to Document

Other files and links

Fingerprint

Cite this