Adsorption, excitation analysis, and the mechanism of tetracycline photodegradation by Ca12O12-PEDOT, Mg12O12-PEDOT, and Zn12O12-PEDOT hybrid materials: Perspective from first-principles study

Materials Chemistry and Physics, Journal Year: 2023, Volume and Issue: 312, P. 128632 - 128632

Published: Oct. 30, 2023

Language: Английский

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Computational Investigation of Pristine, Al-, and Ga-Doped Zn12O12 nanoclusters as Detection Platforms for Methadone in gas and solvent phases

Journal of Organometallic Chemistry, Journal Year: 2024, Volume and Issue: 1025, P. 123469 - 123469

Published: Dec. 3, 2024

Language: Английский

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Novel gas sensing mechanisms of Pd and Rh-doped h-BN monolayers for detecting dissolved gases (H2、CH4、and C2H4) in transformer oil

Frontiers in Chemistry, Journal Year: 2024, Volume and Issue: 12

Published: Dec. 6, 2024

Detecting dissolved gases in transformer oil is crucial for assessing the operational status of transformers. The gas composition can reflect health equipment and help identify potential failure risks a timely manner. Based on density functional theory (DFT), Pd Rh atoms were doped into h-BN monolayer, most stable adsorption structures each first explored. Then, sensing performance Pd-doped Rh-doped monolayers H

Language: Английский

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Metals (Ga, In) encapsulated aluminum nitride nanotubes (AlNNTs) as nonenzymatic sensors for biomarker volatiles of liver cirrhosis: A computational study

Journal of Molecular Liquids, Journal Year: 2023, Volume and Issue: 392, P. 123398 - 123398

Published: Nov. 1, 2023

Language: Английский

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Exploring the Potential of Compounds Isolated from Laranthus micranthus for the Treatment of Benign Prostatic Hyperplasia: Comprehensive Studies on Spectroscopic, Reactivity, and Biological Activity

Chemistry Africa, Journal Year: 2023, Volume and Issue: 7(2), P. 671 - 687

Published: Oct. 2, 2023

Language: Английский

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