Investigation of the electronic and thermoelectric properties of nitrogen chains doping SWCNT: ab initio study

• Published in: European physical journal. Applied physics Vol. 98; p. 32
• Main Authors: Takassa, Rabi, El Mouncharih, Abdelkarim, Farkad, Omar, Elfatouaki, Fatima, Hassine, Sanae, Ouahdani, Abdellatif, Ibnouelghazi, El Alami, Abouelaoualim, Driss
• Format: Journal Article
• Language: English
• Published: 2023

In this work, we have investigated the electronic and thermoelectric properties of CN, C 2 N 2 and C 4 N 2 nanotubes resulting from doping of nitrogen atoms, three and two N-zigzag chains on small (3,3) single walled carbon nanotube (SWCNT) respectivelly. All calculations were performed via DFT theo...