Novel In2S3/Zn–Al LDHs composite as an efficient visible-light-driven photocatalyst for tetracycline degradation

Wang, Man; Wang, Jun; Li, Mengjun; Wang, Xinru; Sima, Yating; Wu, Qiang

doi:10.1016/j.optmat.2022.112376

Cited by 8 publications

(1 citation statement)

References 55 publications

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“…Having thoroughly explored the literature, several studies have used boron nitride, − graphene, − and titanium alongside other composites − to study the degradation of TC. However, no study was able to integrate polythiophene, titanium, graphene, and boron nitride as optimized in this study.…”

Section: Introductionmentioning

confidence: 99%

Impact of Polythiophene ((C₄H₄S)_n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study

Agurokpon,

Louis,

Benjamin

et al. 2023

ACS Omega

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This study addresses the formidable persistence of tetracycline (TC) in the environment and its adverse impact on soil, water, and microbial ecosystems. To combat this issue, an innovative approach by varying polythiophene ((C4H4S) n ; n = 3, 5, 7, 9) units and the subsequent interaction with Ti-doped graphene/boron nitride (Ti@GP_BN) nanocomposites was applied as catalysts for investigating the molecular structure, adsorption, excitation analysis, and photodegradation mechanism of tetracycline within the framework of density functional theory (DFT) at the B3LYP-gd3bj/def2svp method. This study reveals a compelling correlation between the adsorption potential of the nanocomposites and their corresponding excitation behaviors, particularly notable in the fifth and seventh units of the polythiophene configuration. These units exhibit distinct excitation patterns, characterized by energy levels of 1.3406 and 924.81 nm wavelengths for the fifth unit and 1.3391 and 925.88 nm wavelengths for the seventh unit. Through exploring deeper, the examination of the exciton binding energy emerges as a pivotal factor, bolstering the outcomes derived from both UV–vis transition analysis and adsorption exploration. Notably, the calculated exciton binding energies of 0.120 and 0.103 eV for polythiophene units containing 5 and 7 segments, respectively, provide compelling confirmation of our findings. This convergence of data reinforces the integrity of our earlier analyses, enhancing our understanding of the intricate electronic and energetic interplay within these intricate systems. This study sheds light on the promising potential of the polythiophene/Ti-doped graphene/boron nitride nanocomposite as an efficient candidate for TC photodegradation, contributing to the advancement of sustainable environmental remediation strategies. This study was conducted theoretically; hence, experimental studies are needed to authenticate the use of the studied nanocomposites for degrading TC.

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Section: Introductionmentioning

confidence: 99%

Impact of Polythiophene ((C₄H₄S)_n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study

Agurokpon,

Louis,

Benjamin

et al. 2023

ACS Omega

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Ultrathin 2D ZnGa-borate-LDH nanosheets for boosting dye-sensitized photocatalytic coupled reaction of H2 production with pollutant degradation

Wen

Luo²,

Gu³

et al. 2023

Colloids and Surfaces A: Physicochemical and Engineering Aspect

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In2S3/g-C3N4/CoZnAl-LDH composites with the lamellar dual S-scheme heterostructure and its enhanced photocatalytic performance

Sun

et al. 2023

Colloids and Surfaces A: Physicochemical and Engineering Aspect

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Novel In2S3/Zn–Al LDHs composite as an efficient visible-light-driven photocatalyst for tetracycline degradation

Cited by 8 publications

References 55 publications

Impact of Polythiophene ((C₄H₄S)_n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study

Impact of Polythiophene ((C₄H₄S)_n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study

Ultrathin 2D ZnGa-borate-LDH nanosheets for boosting dye-sensitized photocatalytic coupled reaction of H2 production with pollutant degradation

In2S3/g-C3N4/CoZnAl-LDH composites with the lamellar dual S-scheme heterostructure and its enhanced photocatalytic performance

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Novel In2S3/Zn–Al LDHs composite as an efficient visible-light-driven photocatalyst for tetracycline degradation

Cited by 8 publications

References 55 publications

Impact of Polythiophene ((C4H4S)n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study

Impact of Polythiophene ((C4H4S)n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study

Ultrathin 2D ZnGa-borate-LDH nanosheets for boosting dye-sensitized photocatalytic coupled reaction of H2 production with pollutant degradation

In2S3/g-C3N4/CoZnAl-LDH composites with the lamellar dual S-scheme heterostructure and its enhanced photocatalytic performance

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About

Impact of Polythiophene ((C₄H₄S)_n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study

Impact of Polythiophene ((C₄H₄S)_n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study