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[ASAP] Band Gap Renormalization Drives Ultrafast Charge Separation and Slow Recombination in Covalently Functionalized Carbon Nanotubes: Nonadiabatic Molecular Dynamics Simulation

Journal content Created on 05 Jun 2026 Journal of the American Chemical Society

Uttam Chowdhury, Shrabanti Mondal, Subhajit Dey, Anik Ratan Das, Ritabrata Sarkar, Mohit Chaudhary, Andrey S. Vasenko, Oleg V. Prezhdo, and Sougata Pal

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