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Atomistic Modeling of the Electrical Conductivity of Single-Walled Carbon Nanotube Junctions

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posted on 2022-06-16, 16:48 authored by Thomas DurrantThomas Durrant, Al-Moatasem El-Sayed, David Gao, Thomas Rueckes, Gennadi Bersuker, Alexander ShlugerAlexander Shluger

A compressed directory containing the data and analysis scripts used generate the main figures in our publication.

As described in our publication, the DFTB+NEGF approach is employed to calculate the electrical conductivity of carbon nanotube junction structures. The generated junction structures themselves, along with the template structures used to generate them are available in this archive.


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