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

U Uttam Chowdhury (Department of Chemistry) S Shrabanti Mondal (Department of Chemistry) S Subhajit Dey (Department of Chemistry) A Anik Ratan Das (Department of Chemistry) R Ritabrata Sarkar M Mohit Chaudhary (Department of Chemistry and Chemical Biology) A Andrey S. Vasenko (HSE University) O Oleg V. Prezhdo (Department of Chemistry and Chemical Biology) S Sougata Pal (Department of Chemistry)

Article Details

Volume / Issue Vol. 148, Issue 23
Published June 17, 2026
Pages 24538-24550
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society

ISSN: 0002-7863 Physical Sciences

Authors (9)

U

Uttam Chowdhury

Department of Chemistry

S

Shrabanti Mondal

Department of Chemistry

S

Subhajit Dey

Department of Chemistry

A

Anik Ratan Das

Department of Chemistry

R

Ritabrata Sarkar

M

Mohit Chaudhary

Department of Chemistry and Chemical Biology

A

Andrey S. Vasenko

HSE University

O

Oleg V. Prezhdo

Department of Chemistry and Chemical Biology

S

Sougata Pal

Department of Chemistry