Idealizing Tauc Plot for Accurate Bandgap Determination of Semiconductor with Ultraviolet–Visible Spectroscopy: A Case Study for Cubic Boron Arsenide

Zhong, Hongxia; Pan, Fengjiao; Yue, Shuai; Qin, Chengzhen; Hadjiev, V. G.; Tian, Fei; Liu, Xinfeng; Li, Feng; Wang, Zhiming M.; Bao, Jiming

doi:10.1021/acs.jpclett.3c01416

Cited by 39 publications

(3 citation statements)

References 44 publications

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“…However, calculating the band gap using the Tauc plot required the absorption edge to be formed by an interband transition between parabolic bands . In the presence of strong tail absorption, the Tauc plot cannot be used to determine the band gap, as the Tauc plot may give two different band gaps due to different extrapolations . As seen in Figure S19, a smaller band gap can be obtained by extrapolating the linear fit of (α h ν) 2 to zero, while a larger band gap is obtained by extrapolating to the nonzero baseline.…”

Section: Resultsmentioning

confidence: 99%

Construction of Dual Active Sites in Perovskite Oxide for Targeted Photocatalytic CO₂ Reduction to CH₄

Gao,

Zhang,

Jin

et al. 2024

ACS Catal.

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Photocatalytic CO 2 methanation is considered a sustainable solution for the effective utilization of CO 2 . However, it remains a major challenge for the process to achieve high selectivity for a single product such as CH 4 in view of the complexity of the multielectron transfer mechanism. Herein, a SrTiO 3 -based catalyst with adjacent Bi−Mn dual active sites is developed for photocatalytic CO 2 reduction. In the structure of SrTiO 3 codoped with Bi and Mn atoms, theoretical calculations and experimental studies show that the oxygen vacancy in the MnO 6 octahedron induces Jahn−Teller distortion, which leads to a rearrangement of the Mn d-orbital electrons. The altered d z 2 orbital energy level interacts electronically with the adjacent Bi atom p orbital, forming the electron-rich Bi−Mn dual active sites with improved surface electron transfer capability. Electronic coupling interactions within the Bi−Mn dual active sites can optimize the adsorption capabilities for reaction intermediates, thereby lowering the reaction energy barrier for the CH 4 product pathway as well as reducing the energy barrier for surface refreshment. The results show that the Sr 0.8 Bi 0.2 Ti 0.8 Mn 0.2 O 3 nanosheet achieves a high selectivity of 84.3% for the CH 4 product with a yield of 30.6 μmol g −1 h −1 in pure water. This work provides novel insight into the design of dual active site catalysts for the selective reduction of CO 2 .

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Section: Resultsmentioning

confidence: 99%

Construction of Dual Active Sites in Perovskite Oxide for Targeted Photocatalytic CO₂ Reduction to CH₄

Gao,

Zhang,

Jin

et al. 2024

ACS Catal.

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“…According to the elemental analysis results, the actual Mn 2+ ions incorporated into the (TDMP)ZnBr 4 lattice are still quite limited, even though the feed ratio of Mn 2+ ions reaches 40% or even 60%. The following formula was used to calculate the bandgap value of (TDMP)ZnBr 4 with different Mn 2+ ion feed ratios [50]:…”

Section: Optical Propertiesmentioning

confidence: 99%

Mn(II)-Activated Zero-Dimensional Zinc(II)-Based Metal Halide Hybrids with Near-Unity Photoluminescence Quantum Yield

Peng,

Wei,

Duan

et al. 2024

Materials

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As derivatives of metal halide perovskite materials, low-dimensional metal halide materials have become important materials that have attracted much attention in recent years. As one branch, zinc-based metal halides have the potential for practical applications due to their lead-free, low-toxicity and high-stability characteristics. However, pure zinc-based metal halide materials are still limited by their poor optical properties and cannot achieve large-scale practical applications. Therefore, in this work, we report an organic–inorganic hybrid zero-dimensional zinc bromide, (TDMP)ZnBr4, using transition metal Mn2+ ions as dopants and incorporating them into the (TDMP)ZnBr4 lattice. The original non-emissive (TDMP)ZnBr4 exhibits bright green emission under the excitation of external UV light after the introduction of Mn2+ ions with a PL peak position located at 538 nm and a PLQY of up to 91.2%. Through the characterization of relevant photophysical properties and the results of theoretical calculations, we confirm that this green emission in Mn2+:(TDMP)ZnBr4 originates from the 4T1 → 6A1 optical transition process of Mn2+ ions in the lattice structure, and the near-unity PLQY benefits from highly localized electrons generated by the unique zero-dimensional structure of the host material (TDMP)ZnBr4. This work provides theoretical guidance and reference for expanding the family of zinc-based metal halide materials and improving and controlling their optical properties through ion doping.

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“…Based on the baseline correction, [61] UV-vis diffuse reflectance absorption spectra and corresponding Tauc plots of Fe-TSr, TSr, Fe-TiO 2 , and TiO 2 samples are depicted in Figures S16 and S17 of the Supporting Information. For TiO 2 , an intense absorption edge onset at ≈380 nm agrees with the intrinsic bandgap energy (3.2 eV) of anatase TiO 2 .…”

Section: Synthesis and Characterizationmentioning

confidence: 99%

Water‐Mediated Selectivity Control of CH₃OH versus CO/CH₄in CO₂Photoreduction on Single‐Atom Implanted Nanotube Arrays

Huang,

Shi,

et al. 2023

Advanced Materials

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Controllable methanol production in artificial photosynthesis is highly desirable due to its high energy density and ease of storage. Herein, single atom Fe is implanted into TiO2/SrTiO3 (TSr) nanotube arrays by two‐step anodization and Sr‐induced crystallization. The resulting Fe‐TSr with both single Fe reduction centers and dominant oxidation facets (001) contributes to efficient CO2 photoreduction and water oxidation for controlled production of CH3OH and CO/CH4. The methanol yield can reach to 154.20 µmol gcat−1 h−1 with 98.90% selectivity by immersing all the catalyst in pure water, and the yield of CO/CH4 is 147.48 µmol gcat−1 h−1 with >99.99% selectivity when the catalyst completely outside water. This CH3OH yield is 50 and 3 times higher than that of TiO2 and TSr and stands among all the state‐of‐the‐art catalysts. The facile gas–solid and gas–liquid–solid phase switch can selectively control CH3OH production from ≈0% (above H2O) to 98.90% (in H2O) via slowly immersing the catalyst into water, where abundant •OH and H2O around Fe sites play important role in selective CH3OH production. This work highlights a new insight for water‐mediated CO2 photoreduction to controllably produce CH3OH.

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Idealizing Tauc Plot for Accurate Bandgap Determination of Semiconductor with Ultraviolet–Visible Spectroscopy: A Case Study for Cubic Boron Arsenide

Cited by 39 publications

References 44 publications

Construction of Dual Active Sites in Perovskite Oxide for Targeted Photocatalytic CO₂ Reduction to CH₄

Construction of Dual Active Sites in Perovskite Oxide for Targeted Photocatalytic CO₂ Reduction to CH₄

Mn(II)-Activated Zero-Dimensional Zinc(II)-Based Metal Halide Hybrids with Near-Unity Photoluminescence Quantum Yield

Water‐Mediated Selectivity Control of CH₃OH versus CO/CH₄in CO₂Photoreduction on Single‐Atom Implanted Nanotube Arrays

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Idealizing Tauc Plot for Accurate Bandgap Determination of Semiconductor with Ultraviolet–Visible Spectroscopy: A Case Study for Cubic Boron Arsenide

Cited by 39 publications

References 44 publications

Construction of Dual Active Sites in Perovskite Oxide for Targeted Photocatalytic CO2 Reduction to CH4

Construction of Dual Active Sites in Perovskite Oxide for Targeted Photocatalytic CO2 Reduction to CH4

Mn(II)-Activated Zero-Dimensional Zinc(II)-Based Metal Halide Hybrids with Near-Unity Photoluminescence Quantum Yield

Water‐Mediated Selectivity Control of CH3OH versus CO/CH4in CO2Photoreduction on Single‐Atom Implanted Nanotube Arrays

Contact Info

Product

Resources

About

Construction of Dual Active Sites in Perovskite Oxide for Targeted Photocatalytic CO₂ Reduction to CH₄

Construction of Dual Active Sites in Perovskite Oxide for Targeted Photocatalytic CO₂ Reduction to CH₄

Water‐Mediated Selectivity Control of CH₃OH versus CO/CH₄in CO₂Photoreduction on Single‐Atom Implanted Nanotube Arrays