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

ABSTRACT: 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 Al2O3 and intense pulsed light (IPL) photo-doping. The Al2O3 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 CH3NH3PbX3 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.

SUBMITTER: Zhang C

PROVIDER: S-EPMC8838492 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature

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

Zhang Chengjian C Tu Qiaomiao Q Francis Lorraine F LF Kortshagen Uwe R UR

Nanomaterials (Basel, Switzerland) 20220207 3

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<s ...[more]

PMID: 35159909

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Project description:Oxide based dilute magnetic semiconductor materials have been of great interest over the years due to their potential use in spintronic devices. However, the variations in the magnetic behavior of the materials have raised concerns regarding the origin of ferromagnetic properties which still needs to be explored. Manipulation of magnetic behavior in oxide based dilute magnetic semiconductors has become a challenge due to the interplay of intrinsic defects present in the material. TiO2 nanocrystals have been studied largely due to their challenging optical and magnetic properties. The present investigation studies in detail the structural, morphological, optical and magnetic behavior of non-magnetic element (Cu and Zn) doped TiO2, synthesized via a simple sol-gel technique. X-ray diffraction patterns and Raman spectra confirm the anatase phase and high resolution transmission electron microscopic results clearly indicate the formation of highly crystalline nanocrystals in all the samples with particle size ranging from 5-15 nm. Energy dispersive X-ray fluorescence spectroscopic studies reveal the compositional homogeneity of all the investigated samples. The presence of functional groups and molecular interactions were identified by Fourier transform infrared spectroscopy. Optical properties were studied through UV-visible and photoluminescence spectroscopy from which a significant reduction in band gap in Cu-doped TiO2 nanocrystals was found. X-ray photoelectron spectra confirm the presence of Ti3+, Cu2+, Cu+ and Zn2+ in Cu and Zn-doped TiO2 samples. The concept of bound magnetic polarons associated with the vacancy defects at both Ti, Cu, Zn and oxygen sites is used to explain the induced weak ferromagnetic behavior in undoped, Cu and Zn-doped TiO2 at room temperature. The overlapping of bound magnetic polarons could be the source of ferromagnetism irrespective of the non-magnetic nature of the dopant ion. The concentration of bound magnetic polarons is estimated using a Langevin fit and a detailed understanding of the variation of defect mediated magnetic properties is established with the help of PL analysis. A significant reduction in bandgap along with enhanced magnetization observed in the Cu-doped TiO2 material makes it suitable as a potential candidate for spintronics and magneto-optics applications. Room temperature magnetic properties of the Zn doped sample show a diamagnetic tail which is explained based on the defect centers and oxidation states of dopant ions present in the sample which is further verified with the help of XPS results.

Dataset Information

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

Publications

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

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