Electronic structure of Alq3 and Liq using soft X-ray spectroscopy and density functional theory calculation

Yoo Kyung Park; Bo Kyung Ryu; Juhyeok Kim; Soryeong Yeo; Chang Suk Oh; Sang Wan Cho; Hyunbok Lee; Hirohito Ogasawara

doi:10.1016/j.cap.2021.06.010

Electronic structure of Alq₃ and Liq using soft X-ray spectroscopy and density functional theory calculation

Yoo Kyung Park, Bo Kyung Ryu, Juhyeok Kim, Soryeong Yeo, Chang Suk Oh, Sang Wan Cho, Hyunbok Lee, Hirohito Ogasawara

Physics

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

The electronic structure of aluminum tris-8-hydroxyquinoline (Alq₃) and 8-hydroquinolatolithium (Liq) was investigated using a combination of X-ray emission spectroscopy (XES), X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS), and spectral simulation with density functional theory. The chemical bonding states of Alq₃ and Liq were analyzed using XPS core-level spectra. The band gaps of Alq₃ and Liq were measured by combining the XAS and XES results. Additionally, resonant and non-resonant XES were used to measure the density of states for O sites in the molecules.

Original language	English
Pages (from-to)	91-95
Number of pages	5
Journal	Current Applied Physics
Volume	30
DOIs	https://doi.org/10.1016/j.cap.2021.06.010
Publication status	Published - 2021 Oct

Bibliographical note

Funding Information:
This work was supported by a research project of the National Research Foundation of Korea (Grant No. 2020K1A3A7A09080371 and 2020R1I1A3A04037887 ). Part of this study was carried out at the Stanford Synchrotron Radiation Lightsource, a National User Facility operated by Stanford University on behalf of the Basic Energy Sciences, U.S. Department of Energy.

Funding Information:
This work was supported by a research project of the National Research Foundation of Korea (Grant No. 2020K1A3A7A09080371 and 2020R1I1A3A04037887). Part of this study was carried out at the Stanford Synchrotron Radiation Lightsource, a National User Facility operated by Stanford University on behalf of the Basic Energy Sciences, U.S. Department of Energy.

Publisher Copyright:
© 2021 Korean Physical Society

All Science Journal Classification (ASJC) codes

Materials Science(all)
Physics and Astronomy(all)

Access to Document

10.1016/j.cap.2021.06.010

Cite this

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title = "Electronic structure of Alq3 and Liq using soft X-ray spectroscopy and density functional theory calculation",

abstract = "The electronic structure of aluminum tris-8-hydroxyquinoline (Alq3) and 8-hydroquinolatolithium (Liq) was investigated using a combination of X-ray emission spectroscopy (XES), X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS), and spectral simulation with density functional theory. The chemical bonding states of Alq3 and Liq were analyzed using XPS core-level spectra. The band gaps of Alq3 and Liq were measured by combining the XAS and XES results. Additionally, resonant and non-resonant XES were used to measure the density of states for O sites in the molecules.",

author = "Park, {Yoo Kyung} and Ryu, {Bo Kyung} and Juhyeok Kim and Soryeong Yeo and Oh, {Chang Suk} and Cho, {Sang Wan} and Hyunbok Lee and Hirohito Ogasawara",

note = "Funding Information: This work was supported by a research project of the National Research Foundation of Korea (Grant No. 2020K1A3A7A09080371 and 2020R1I1A3A04037887 ). Part of this study was carried out at the Stanford Synchrotron Radiation Lightsource, a National User Facility operated by Stanford University on behalf of the Basic Energy Sciences, U.S. Department of Energy. Funding Information: This work was supported by a research project of the National Research Foundation of Korea (Grant No. 2020K1A3A7A09080371 and 2020R1I1A3A04037887). Part of this study was carried out at the Stanford Synchrotron Radiation Lightsource, a National User Facility operated by Stanford University on behalf of the Basic Energy Sciences, U.S. Department of Energy. Publisher Copyright: {\textcopyright} 2021 Korean Physical Society",

year = "2021",

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doi = "10.1016/j.cap.2021.06.010",

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AU - Ryu, Bo Kyung

AU - Kim, Juhyeok

AU - Yeo, Soryeong

AU - Oh, Chang Suk

AU - Cho, Sang Wan

AU - Lee, Hyunbok

AU - Ogasawara, Hirohito

N1 - Funding Information: This work was supported by a research project of the National Research Foundation of Korea (Grant No. 2020K1A3A7A09080371 and 2020R1I1A3A04037887 ). Part of this study was carried out at the Stanford Synchrotron Radiation Lightsource, a National User Facility operated by Stanford University on behalf of the Basic Energy Sciences, U.S. Department of Energy. Funding Information: This work was supported by a research project of the National Research Foundation of Korea (Grant No. 2020K1A3A7A09080371 and 2020R1I1A3A04037887). Part of this study was carried out at the Stanford Synchrotron Radiation Lightsource, a National User Facility operated by Stanford University on behalf of the Basic Energy Sciences, U.S. Department of Energy. Publisher Copyright: © 2021 Korean Physical Society

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AB - The electronic structure of aluminum tris-8-hydroxyquinoline (Alq3) and 8-hydroquinolatolithium (Liq) was investigated using a combination of X-ray emission spectroscopy (XES), X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS), and spectral simulation with density functional theory. The chemical bonding states of Alq3 and Liq were analyzed using XPS core-level spectra. The band gaps of Alq3 and Liq were measured by combining the XAS and XES results. Additionally, resonant and non-resonant XES were used to measure the density of states for O sites in the molecules.

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