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Investigating the electrocatalytic reduction of 2,4,6-tri-nitro-toluene (TNT) using density functional theory methods

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2,4,6-trinitrotoluene (TNT) degradation is of interest in environmental remediation, demilitarization, and national security. Electrochemical TNT reduction to 2,4,6-triaminotoluene is potentially energy efficient and operable at ambient conditions. Determining an elementary... Click to show full abstract

2,4,6-trinitrotoluene (TNT) degradation is of interest in environmental remediation, demilitarization, and national security. Electrochemical TNT reduction to 2,4,6-triaminotoluene is potentially energy efficient and operable at ambient conditions. Determining an elementary...

Keywords: tri nitro; tnt; electrocatalytic reduction; reduction; investigating electrocatalytic; reduction tri

Journal Title: Green Chemistry
Year Published: 2023

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