Open AccessModify of Electronic Properties for Carbon Nanoribbon due to Effect Different Donors and Acceptors
Author(s) -
Rabab Abdulzahrah Moslem,
Nidhal Mohammed Al Shareefi,
Hamid Ibrahim Abbood
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1963/1/012054
Subject(s) - ribbon , molecule , electronic structure , chemical physics , valence (chemistry) , materials science , band gap , carbon fibers , charge (physics) , chemistry , computational chemistry , optoelectronics , physics , organic chemistry , quantum mechanics , composite number , composite material
.Present work focuses on modify of the electronic properties of CNR by adding different donors and acceptors to the ribbon. The result showed the carbon nanoribbon structure has small energy gap, it less than 1 eV. The effect of adding donors and acceptors molecules to the ribbon leads to slightly decreasing the separation between valence and conduction band in the ribbon that dependent on the type of both donors and acceptors. The calculation of global quantum parameter the electronic softness for the CNR was increased due to adding the donors and acceptors molecules in the ribbon. Also, the charge was dragged towards the areas of high negativity in CNR2 and CNR3 due to presence nitrogen and oxygen atoms in these structures instead of symmetrical distribution for electronic charges in CNR due to periodically distribution of carbon atoms in the CNR1, this modify of the electronic properties of CNR and give it to play a significant role in many electronic applications in charge transfer with other surrounding species.