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Title: Defluorination Mechanisms and Real-Time Dynamics of Per- and Polyfluoroalkyl Substances on Electrified Surfaces

Journal Article · · Environmental Science & Technology Letters (Online)

Not Available

Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
Grant/Contract Number:
EE0010432
OSTI ID:
2510923
Journal Information:
Environmental Science & Technology Letters (Online), Journal Name: Environmental Science & Technology Letters (Online) Journal Issue: 2 Vol. 12; ISSN 2328-8930
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (36)

Electrostatic Field in Contact‐Electro‐Catalysis Driven C−F Bond Cleavage of Perfluoroalkyl Substances journal March 2024
LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory journal June 2020
Atomic and Molecular Adsorption on Cu(111) journal May 2018
PTFE-coated non-stick cookware and toxicity concerns: a perspective journal September 2017
Electrochemical reduction of some saturated and unsaturated perfluorocarbons journal June 1995
Electrochemical reduction of per- and polyfluorinated alkyl substances (PFAS): is it possible? Applying experimental and quantum mechanical insights from the reductive defluorination literature journal June 2024
Advanced experimental and computational approaches for advanced reduction of per- and polyfluoroalkyl substances journal June 2024
Electrochemical remediation of perfluoroalkyl substances from water journal January 2022
Evaluation of a national data set for insights into sources, composition, and concentrations of per- and polyfluoroalkyl substances (PFASs) in U.S. drinking water journal May 2018
Structural Dependence of Reductive Defluorination of Linear PFAS Compounds in a UV/Electrochemical System journal August 2020
Degradation of Per- and Polyfluoroalkyl Substances with Hydrated Electrons: A New Mechanism from First-Principles Calculations journal April 2022
Degradation of Perfluorooctanoic Acid on Aluminum Oxide Surfaces: New Mechanisms from Ab Initio Molecular Dynamics Simulations journal April 2023
Defluorination of Per- and Polyfluoroalkyl Substances (PFASs) with Hydrated Electrons: Structural Dependence and Implications to PFAS Remediation and Management journal March 2019
Nanosecond Transient Absorption of Hydrated Electrons and Reduction of Linear Perfluoroalkyl Acids and Sulfonates journal June 2021
Fluorinated Compounds in U.S. Fast Food Packaging journal February 2017
Potential-Driven Electron Transfer Lowers the Dissociation Energy of the C–F Bond and Facilitates Reductive Defluorination of Perfluorooctane Sulfonate (PFOS) journal August 2019
Mechanism of CO 2 Reduction at Copper Surfaces: Pathways to C 2 Products journal January 2018
Beyond Conventional Density Functional Theory: Advanced Quantum Dynamical Methods for Understanding Degradation of Per- and Polyfluoroalkyl Substances journal August 2023
Origin of Selective Production of Hydrogen Peroxide by Electrochemical Oxygen Reduction journal June 2021
What Is the Rate-Limiting Step of Oxygen Reduction Reaction on Fe–N–C Catalysts? journal November 2023
Real-time degradation dynamics of hydrated per- and polyfluoroalkyl substances (PFASs) in the presence of excess electrons journal January 2020
Electrosynthetic C–F bond cleavage journal January 2022
What can Blyholder teach us about PFAS degradation on metal surfaces? journal January 2024
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu journal April 2010
The Nose–Hoover thermostat journal October 1985
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways journal February 2014
Implicit self-consistent electrolyte model in plane-wave density-functional theory journal December 2019
Occurrence of per- and polyfluoroalkyl substances (PFAS) in source water and their treatment in drinking water journal June 2019
A grid-based Bader analysis algorithm without lattice bias journal January 2009
Atoms in Molecules book December 1990
Inhomogeneous Electron Gas journal November 1964
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
Projector augmented-wave method journal December 1994
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
First-Principles Molecular Dynamics at a Constant Electrode Potential journal December 2012
Generalized Gradient Approximation Made Simple journal October 1996