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Updated: May 26, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Lennard-Jones parameters for small diameter carbon nanotubes and water for molecular mechanics simulations from van

M Kaukonen1, A Gulans, P Havu

  • 1Department of Applied Physics, Aalto University, School of Science and Technology, P.O. Box 11100, FI-00076 AALTO, Finland. markus.kaukonen@iki.fi

Journal of Computational Chemistry
|January 10, 2012
PubMed

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