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Temperature Distribution in Graphene Doped With Nitrogen and Graphene With Grain Boundary

Erfan Lotfi, M Neek-Amal

J Mol Graph Model. 2017 Jun;74:100-104.

PMID: 28384497

Abstract:

Graphene doped with nitrogen exhibits unique properties different than perfect graphene. The temperature distribution in nitrogen-doped graphene (N-graphene) and in the graphene with grain boundary is investigated using molecular dynamics simulations. The temperature distribution in nitrogen-doped graphene nanoribbon, containing two types of grain boundaries, was found to be sensitive to the number of dopants and grain boundary. We also found that there is a remarkable temperature gap in the temperature profile of N-graphene nanoribbon-containing a grain boundary. For any doping ratio N/C we found that the nitrogen atoms enhance roughness of N-graphene and decrease thermal conductivity.

Chemicals Related in the Paper:

Catalog Number Product Name Structure CAS Number Price
LS76144 Nitrogen-doped graphene Nitrogen-doped graphene Price
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