Using dopping and adsorption to introduce energy band gap into graphene ; a DFT study
Main Article Content
Abstract
It is essential introducing and tuning an energy band gap to graphene for the
promising electronic and optoelectronic application of this 2D carbon nanostructure.In the natural state, graphene cannot be used in electronic nanoscale applications because graphene is a semiconductor with a nearly zero band gap energy, which behaves like a semi-metal, as it is necessary to open the band gap energy values of graphene for use in various nanoscale applications as a semiconductor material with different band gap.Investigate the co-doping method .Materials Studio simulation tool ,based on Density Functional TheoryDFT and Local Density Approximation (LDA) to study doping and adsorption large unit cell (4x4x1) for graphene to opening different values of band gap energy . We have been observed different band gap energy between (0.084 eV – 0.77 eV), These values of band gap energy converting graphene from a semiconductor with a gap almost zero to semiconductor with different values of band gap energy.
Downloads
Metrics
Article Details
Licensing
TURCOMAT publishes articles under the Creative Commons Attribution 4.0 International License (CC BY 4.0). This licensing allows for any use of the work, provided the original author(s) and source are credited, thereby facilitating the free exchange and use of research for the advancement of knowledge.
Detailed Licensing Terms
Attribution (BY): Users must give appropriate credit, provide a link to the license, and indicate if changes were made. Users may do so in any reasonable manner, but not in any way that suggests the licensor endorses them or their use.
No Additional Restrictions: Users may not apply legal terms or technological measures that legally restrict others from doing anything the license permits.
