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Critical Review of Thermal Decomposition of Per- and Polyfluoroalkyl Substances: Mechanisms and Implications for Thermal Treatment Processes

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Beyond Conventional Density Functional Theory: Advanced Quantum Dynamical Methods for Understanding Degradation of Per- and Polyfluoroalkyl Substances

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Insights into PFAS environmental fate through computational chemistry: A review

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Pathways for Electron Transfer at MgO–Water Interfaces from Ab Initio Molecular Dynamics

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Boosting contact electro-catalysis efficiency via nano-confinement effect in organic wastewater degradation

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Photo-induced degradation of PFASs: Excited-state mechanisms from real-time time-dependent density functional theory

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Zinc oxide@citric acid-modified graphitic carbon nitride nanocomposites for adsorption and photocatalytic degradation of perfluorooctanoic acid

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New Insights into the Reductive Destruction of Per- and Polyfluoroalkyl Substances in Hydrated Electron-Based Systems

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Early steps in the advanced reduction process of the hydrated electron: lessons learned from transient spectroscopy

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Realizing Direct Hot-Electron Transfer from Metal Nanoparticles to Per- and Polyfluoroalkyl Substances

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Breaking the Carbon–Fluorine Stronghold: Reductive Defluorination of PFASs

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Plasmon-Induced Degradation of Short-Chain PFAS by Noble Metal Nanoclusters

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Unveiling the directional dynamics: Hydrated electron driven defluorination in PFOA⁻ and PFOS⁻ through ab Initio molecular dynamics and quantum chemistry

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Hydrogen-polarized vacuum ultraviolet photolysis system for enhanced destruction of perfluoroalkyl substances

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Structural Dependence of Reductive Defluorination of Linear PFAS Compounds in a UV/Electrochemical System

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Degradation of Perfluorooctanoic Acid on Aluminum Oxide Surfaces: New Mechanisms from Ab Initio Molecular Dynamics Simulations

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Molecular framework for designing Fluoroclay with enhanced affinity for per- and polyfluoroalkyl substances

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Computational Chemistry as Applied in Environmental Research: Opportunities and Challenges

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Microbial and thermal treatment techniques for degradation of PFAS in biosolids: A focus on degradation mechanisms and pathways

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High energy radiation – Induced cooperative reductive/oxidative mechanism of perfluorooctanoate anion (PFOA) decomposition in aqueous solution

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Theoretical and experimental insights into electron-induced efficient defluorination of perfluorooctanoic acid and perfluorooctane sulfonate by mesoporous plasma

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Emerging contaminants: A One Health perspective

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A ReaxFF-based molecular dynamics study of the destruction of PFAS due to ultrasound

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A review of emerging photoinduced degradation methods for per- and polyfluoroalkyl substances in water

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Advanced experimental and computational approaches for advanced reduction of per- and polyfluoroalkyl substances

Sohag Biswas, Xian Wang and Bryan M Wong

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Understanding speciation and solvation of glyphosate from first principles simulations

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Degradation of Per- and Polyfluoroalkyl Substances with Hydrated Electrons: A New Mechanism from First-Principles Calculations

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Degradation of Perfluorododecyl-Iodide Self-Assembled Monolayers upon Exposure to Ambient Light

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“Forever chemicals”: a sticky environmental problem

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Per- and polyfluoroalkyl substances chemical degradation strategies: insights into the underlying reaction mechanisms

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Hydrothermal defluorination of fluorobenzene in the presence of sodium hydroxide

Jun Endo and Toshitaka Funazukuri

J Mater Cycles Waste Manag, 2023, 25, 3237
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Defluorination mechanism related to the activity of hydroxyl groups: A combined density functional theory calculations and experimental study

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Mechanisms and pathways of PFAS degradation by advanced oxidation and reduction processes: A critical review

Mohamed Gar Alalm and Daria Camilla Boffito

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Prehydrated Electrons Activated by Continuous Electron Transfer Stemmed from Peracetic Acid Homolysis Mediated by Diamond Surface Defects for Enhanced PFOA Destruction

Yanei Xue, Wenjun Sun, Wenxin Shi, Ching-Hua Huang and Domenico Santoro

Environ. Sci. Technol., 2024, 58, 11152
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Defluorination Mechanisms and Real-Time Dynamics of Per- and Polyfluoroalkyl Substances on Electrified Surfaces

Kamal Sharkas and Bryan M. Wong

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