On-the-Fly Nonadiabatic Dynamics Simulations of Single-Walled Carbon Nanotubes with Covalent Defects

Authors: Braden M. Weight, Andrew E. Sifain, Brendan J. Gifford, Han Htoon, Sergei Tretiak

Published: 2023-03-27

DOI: 10.1021/acsnano.2c08579

Source: Full article

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Abstract

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