Origin of Anisotropic Molecular Packing in Vapor-Deposited Alq3 Glasses

Bagchi, Kushal; Jackson, Nicholas E.; Gujral, Ankit; Huang, Chengbin; Toney, Michael F.; Yu, Lian; de Pablo, Juan J.; Ediger, M. D.

doi:10.1021/acs.jpclett.8b03582

Title: Origin of Anisotropic Molecular Packing in Vapor-Deposited Alq3 Glasses

Journal Article · Mon Dec 24 00:00:00 EST 2018 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.8b03582· OSTI ID:1503560

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Univ. of Wisconsin, Madison, WI (United States). Dept. of Chemistry
Univ. of Chicago, IL (United States). Inst. for Molecular Engineering; Argonne National Lab. (ANL), Argonne, IL (United States). Inst. for Molecular Engineering
Univ. of Wisconsin, Madison, WI (United States). School of Pharmacy
SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL)

Anisotropic molecular packing is a key feature that makes glasses prepared by physical vapor deposition (PVD) unique materials, warranting a mechanistic understanding of how a PVD glass attains its structure. To this end, we use X-ray scattering and ellipsometry to characterize the structure of PVD glasses of tris(8-hydroxyquinoline) aluminum (Alq₃), a molecule used in organic electronics, and compare our results to simulations of its supercooled liquid. X-ray scattering reveals a tendency for molecular layering in Alq₃ glasses that depends upon the substrate temperature during deposition and the deposition rate. Simulations reveal that the Alq₃ supercooled liquid, like liquid metals, exhibits surface layering. We propose that the layering in Alq₃ glasses observed here as well as the previously reported bulk dipole orientation are inherited from the surface structure of the supercooled liquid. This work significantly advances our understanding of the mechanism governing the formation of anisotropic structure in PVD glasses.

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Research Organization:: SLAC National Accelerator Lab., Menlo Park, CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-76SF00515; SC0002161; AC02-06CH11357

OSTI ID:: 1503560

Alternate ID(s):: OSTI ID: 1493709

Journal Information:: Journal of Physical Chemistry Letters, Vol. 10, Issue 2; ISSN 1948-7185

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 39 works

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Molecular Orientation Effects in Organic Light‐Emitting Diodes Marcato, Tommaso; Shih, Chih‐Jen Helvetica Chimica Acta, Vol. 102, Issue 5 https://doi.org/10.1002/hlca.201900048	journal	May 2019
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