Show/Hide Menu
Hide/Show Apps
Logout
Türkçe
Türkçe
Search
Search
Login
Login
OpenMETU
OpenMETU
About
About
Open Science Policy
Open Science Policy
Open Access Guideline
Open Access Guideline
Postgraduate Thesis Guideline
Postgraduate Thesis Guideline
Communities & Collections
Communities & Collections
Help
Help
Frequently Asked Questions
Frequently Asked Questions
Guides
Guides
Thesis submission
Thesis submission
MS without thesis term project submission
MS without thesis term project submission
Publication submission with DOI
Publication submission with DOI
Publication submission
Publication submission
Supporting Information
Supporting Information
General Information
General Information
Copyright, Embargo and License
Copyright, Embargo and License
Contact us
Contact us
Bismuth doping of graphene
Date
2010-02-22
Author
Akturk, Olcay Uezengi
Tomak, Mehmet
Metadata
Show full item record
This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
.
Item Usage Stats
166
views
0
downloads
Cite This
In this work, we have studied bismuth as a dopant in graphene using density functional theory (DFT). We find that bismuth is weakly physisorbed within DFT. On the other hand, we show that bismuth n-dopes graphene when it is substitutional. We observe that local density approximation results give higher substitutional energy than that of generalized gradient approximation. The electronic structure of graphene is changed when Bi is substitutional.
Subject Keywords
Physics and Astronomy (miscellaneous)
URI
https://hdl.handle.net/11511/35865
Journal
APPLIED PHYSICS LETTERS
DOI
https://doi.org/10.1063/1.3334723
Collections
Department of Physics, Article
Suggestions
OpenMETU
Core
Novel RDX-Based Cage and Cage-Like Nitramines
Türker, Burhan Lemi; Bayar, Caglar Celik; Turhan, Hamza (Informa UK Limited, 2013-10-01)
1,3,5-Trinitroperhydro-1,3,5-triazine (RDX)-based cage and cage-like nitramines in which two RDX molecules are linked to each other via three and two carbon atoms, respectively, have been investigated computationally using density functional theory (DFT) at a B3LYP/6-31G(d,p) theoretical level. The study focused on finding out how the quantum chemical and detonation properties of RDX change if two RDX molecules come together and form these structures. Both considered nitramines exhibited higher heats of for...
Defect-controlled transport properties of metallic atoms along carbon nanotube surfaces
Barinov, Alexei; Toffoli, Hande; Fabris, Stefano; Gregoratti, Luca; Aballe, Lucia; Dudin, Pavel; Baroni, Stefano; Kiskinova, Maya (American Physical Society (APS), 2007-07-01)
The diffusion mechanism of indium atoms along multiwalled carbon nanotubes is studied by means of photoemission spectromicroscopy and density functional theory calculations. The unusually high activation temperature for diffusion (approximate to 700 K), the complex C 1s and In 3d(5/2) spectra, and the calculated adsorption energies and diffusion barriers suggest that the indium transport is controlled by the concentration of defects in the C network and proceeds via hopping of indium adatoms between C vacan...
Electric dipole moments of charged leptons and lepton flavor violating interactions in the general two Higgs doublet model
Iltan, EO (American Physical Society (APS), 2001-07-01)
We calculate the electric dipole moment of the electron using the experimental result of the muon electric dipole moment and upper limit of the BR(mu-->e gamma) in the framework of the general two Higgs doubler model. Our prediction is 10(-32) e cm, which lies in the experimental current limits. Further, we obtain constraints for the Yukawa couplings )over bar>(D)(N,taue) and )over bar>(D)(N,tau mu). Finally, we present an expression which connects the BR(tau-->mu gamma) and the electric dipole moment of th...
Structure-Impact Sensitivity Relation of Certain Explosive Compounds
Türker, Burhan Lemi (Informa UK Limited, 2009-01-01)
A theoretical model is developed within the Huckel molecular orbital theory for the structure-impact sensitivity relation of some explosive compounds. The model considers some topological properties of a given molecule as well as the number of certain substituents. Also, a regression equation has been obtained for polynitrobenzenes having a high degree of significance. In light of the equations developed, effects of factors on impact sensitivity are discussed.
Stable, self-ballasting field emission from zinc oxide nanowires grown on an array of vertically aligned carbon nanofibers
Li, C.; Zhang, Y.; Mann, M.; Hiralal, P.; Ünalan, Hüsnü Emrah; Lei, W.; Wang, B. P.; Chu, D. P.; Pribat, D.; Amaratunga, G. A. J.; Milne, W. I. (AIP Publishing, 2010-04-05)
A structure composed of zinc oxide nanowires (ZNWs) grown hydrothermally on an array of vertically aligned carbon nanofibers (CNFs) was fabricated and its field emission properties determined and compared with bare CNF arrays. The combination produced a macroscopic turn-on field of 1.2 V/mu m which was found to be the lowest reported from ZNWs deposited on a two-dimensional substrate and much less than the equivalent CNFs array (5.2 V/mu m). Crucially, field emission was found to be much more stable at high...
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
O. U. Akturk and M. Tomak, “Bismuth doping of graphene,”
APPLIED PHYSICS LETTERS
, pp. 0–0, 2010, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/35865.