What is it about?
The edge of an armchair nanoribbon of Molybdenum disulfide has been terminated with N, O and F atoms. Then, the Structural, electronic and transport properties of the nanoribon have been investigated with DFT and molecular dynamic codes like siesta, WIEN2k and Gollum.
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Why is it important?
This is a full investigated paper about the properties of N, O and F atom on the edge of AMoS2NRs. It has been done with DFT and MD methods and have been verified with a full potential code.
Perspectives
I hope this article makes students investigate more 2-D structures.
majid davoodian
Iran University of Science and Technology
Read the Original
This page is a summary of: Structural, electronic and transport properties of an edge terminated armchair MoS2 nanoribbon with N, O and F atoms, AIP Advances, March 2019, American Institute of Physics,
DOI: 10.1063/1.5088551.
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