Unraveling the complexation effect of electron transporting materials with Liq on the charge transport properties: A theoretical perspective

被引：1

作者：

Kang, Sunwoo ^{[1
]}

Jeon, Sang Ho ^{[1
]}

Kim, Taekyung ^{[2
,3
]}

机构：

[1] Samsung Display Co, Display Res Ctr, 1, Yongin, Gyunggi, South Korea

[2] Hongik Univ, Dept Informat Display, Seoul 04066, South Korea

[3] Hongik Univ, Dept Mat Sci & Engn, Sejongsi 30016, South Korea

来源：

CHEMICAL PHYSICS LETTERS | 2023年 / 810卷

基金：

新加坡国家研究基金会;

关键词：

Density functional theory simulation; Charge transport property; ETL-Liq complex; Stabilization energy; HOLE-BLOCKING MATERIALS; DEEP-BLUE EMITTER; DRIVING VOLTAGE; IMPROVEMENT; EFFICIENCY; CHEMISTRY; ENERGY; OLEDS; RED;

D O I：

10.1016/j.cplett.2022.140207

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The effect of coordinated structures of electron transporting materials (ETMs) with lithium quinolate (Liq) on charge transport characteristics was theoretically investigated. The reorganization energies of holes (lambda h) and electrons (lambda e) of ETM-Liq simultaneously increased compared with those of ETMs, indicating that the charge transporting is retarded. Interestingly, lambda e of ETM-(Liq)n increased, while lambda h decreased. Regarding transfer in-tegrals for holes (th) and electrons (te), th's of T2T-Liq and BPyTP2-Liq were significantly reduced with te of T2T- Liq decreasing tremendously. Consequently, the hopping rates of holes of Liq-complexes were reduced, while that of electrons of BPyTP2-Liq increased and that of T2T-Liq/TSPO1-Liq was reduced.

引用

页数：8

共 27 条

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