Band Gap Tuning of Films of Undoped ZnO Nanocrystals by Removal of Surface Groups

Transparent conductive oxides (TCOs) are widely used in optoelectronic devices such as flat-panel displays and solar cells. A significant optical property of TCOs is their band gap, which determines the spectral range of the transparency of the material. In this study, a tunable band gap range from...

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Main Authors: Chengjian Zhang, Qiaomiao Tu, Lorraine F. Francis, Uwe R. Kortshagen
Format: Article
Language:English
Published: MDPI AG 2022-02-01
Series:Nanomaterials
Subjects:
Online Access:https://www.mdpi.com/2079-4991/12/3/565
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author Chengjian Zhang
Qiaomiao Tu
Lorraine F. Francis
Uwe R. Kortshagen
author_facet Chengjian Zhang
Qiaomiao Tu
Lorraine F. Francis
Uwe R. Kortshagen
author_sort Chengjian Zhang
collection DOAJ
description Transparent conductive oxides (TCOs) are widely used in optoelectronic devices such as flat-panel displays and solar cells. A significant optical property of TCOs is their band gap, which determines the spectral range of the transparency of the material. In this study, a tunable band gap range from 3.35 eV to 3.53 eV is achieved for zinc oxide (ZnO) nanocrystals (NCs) films synthesized by nonthermal plasmas through the removal of surface groups using atomic layer deposition (ALD) coating of Al<sub>2</sub>O<sub>3</sub> and intense pulsed light (IPL) photo-doping. The Al<sub>2</sub>O<sub>3</sub> coating is found to be necessary for band gap tuning, as it protects ZnO NCs from interactions with the ambient and prevents the formation of electron traps. With respect to the solar spectrum, the 0.18 eV band gap shift would allow ~4.1% more photons to pass through the transparent layer, for instance, into a CH<sub>3</sub>NH<sub>3</sub>PbX<sub>3</sub> solar cell beneath. The mechanism of band gap tuning via photo-doping appears to be related to a combination of the Burstein–Moss (BM) and band gap renormalization (BGN) effects due to the significant number of electrons released from trap states after the removal of hydroxyl groups. The BM effect shifts the conduction band edge and enlarges the band gap, while the BGN effect narrows the band gap.
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spelling doaj.art-cda92964c6f8498aa4c18ed1b1157bdd2023-11-23T17:22:52ZengMDPI AGNanomaterials2079-49912022-02-0112356510.3390/nano12030565Band Gap Tuning of Films of Undoped ZnO Nanocrystals by Removal of Surface GroupsChengjian Zhang0Qiaomiao Tu1Lorraine F. Francis2Uwe R. Kortshagen3Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, MN 55414, USADepartment of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, MN 55414, USADepartment of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, MN 55414, USADepartment of Mechanical Engineering, University of Minnesota, Minneapolis, MN 55414, USATransparent conductive oxides (TCOs) are widely used in optoelectronic devices such as flat-panel displays and solar cells. A significant optical property of TCOs is their band gap, which determines the spectral range of the transparency of the material. In this study, a tunable band gap range from 3.35 eV to 3.53 eV is achieved for zinc oxide (ZnO) nanocrystals (NCs) films synthesized by nonthermal plasmas through the removal of surface groups using atomic layer deposition (ALD) coating of Al<sub>2</sub>O<sub>3</sub> and intense pulsed light (IPL) photo-doping. The Al<sub>2</sub>O<sub>3</sub> coating is found to be necessary for band gap tuning, as it protects ZnO NCs from interactions with the ambient and prevents the formation of electron traps. With respect to the solar spectrum, the 0.18 eV band gap shift would allow ~4.1% more photons to pass through the transparent layer, for instance, into a CH<sub>3</sub>NH<sub>3</sub>PbX<sub>3</sub> solar cell beneath. The mechanism of band gap tuning via photo-doping appears to be related to a combination of the Burstein–Moss (BM) and band gap renormalization (BGN) effects due to the significant number of electrons released from trap states after the removal of hydroxyl groups. The BM effect shifts the conduction band edge and enlarges the band gap, while the BGN effect narrows the band gap.https://www.mdpi.com/2079-4991/12/3/565metal oxide nanocrystalsband gapBurstein–Moss effectband gap renormalizationnonthermal plasmasatomic layer deposition
spellingShingle Chengjian Zhang
Qiaomiao Tu
Lorraine F. Francis
Uwe R. Kortshagen
Band Gap Tuning of Films of Undoped ZnO Nanocrystals by Removal of Surface Groups
Nanomaterials
metal oxide nanocrystals
band gap
Burstein–Moss effect
band gap renormalization
nonthermal plasmas
atomic layer deposition
title Band Gap Tuning of Films of Undoped ZnO Nanocrystals by Removal of Surface Groups
title_full Band Gap Tuning of Films of Undoped ZnO Nanocrystals by Removal of Surface Groups
title_fullStr Band Gap Tuning of Films of Undoped ZnO Nanocrystals by Removal of Surface Groups
title_full_unstemmed Band Gap Tuning of Films of Undoped ZnO Nanocrystals by Removal of Surface Groups
title_short Band Gap Tuning of Films of Undoped ZnO Nanocrystals by Removal of Surface Groups
title_sort band gap tuning of films of undoped zno nanocrystals by removal of surface groups
topic metal oxide nanocrystals
band gap
Burstein–Moss effect
band gap renormalization
nonthermal plasmas
atomic layer deposition
url https://www.mdpi.com/2079-4991/12/3/565
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AT lorraineffrancis bandgaptuningoffilmsofundopedznonanocrystalsbyremovalofsurfacegroups
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