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Proceedings Paper

Unraveling the origin of the orientation of Ir complexes doped in organic semiconducting layers
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Paper Abstract

Emitting dipole orientation (EDO) is an important issue of emitting materials in organic light-emitting diodes for an increase of outcoupling efficiency of light. The origin of preferred orientation of emitting dipole of iridium-based heteroleptic phosphorescent dyes doped in organic layers is revealed by simulation of vacuum deposition using molecular dynamics along with quantum mechanical characterization of the phosphors. Consideration of both the electronic transitions in a molecular frame and the orientation of the molecules at the vacuum/molecular film interface allows quantitative analyses of the EDO depending on host molecules and dopant structures. Interactions between the phosphor and nearest host molecules on the surface, minimizing the non-bonded van der Waals and electrostatic interaction energies determines the molecular alignment during the vacuum deposition. Parallel alignment of the main cyclometalating ligands in the molecular complex due to host interactions rather than the ancillary ligand orienting to vacuumleads to the horizontal EDO.

Paper Details

Date Published: 25 August 2017
PDF: 13 pages
Proc. SPIE 10362, Organic Light Emitting Materials and Devices XXI, 1036213 (25 August 2017); doi: 10.1117/12.2273505
Show Author Affiliations
Chang-Ki Moon, Seoul National Univ. (Korea, Republic of)
Kwon-Hyeon Kim, Seoul National Univ. (Korea, Republic of)
Jang-Joo Kim, Seoul National Univ. (Korea, Republic of)

Published in SPIE Proceedings Vol. 10362:
Organic Light Emitting Materials and Devices XXI
Franky So; Chihaya Adachi; Jang-Joo Kim, Editor(s)

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