Year 2019, Volume 2 , Issue 1, Pages 37 - 39 2019-07-19

Physical Properties of Anthra [2,3-b;6,7-b'] Dithiophene Organic Material

Hazhar HAMAD [1]


Anthradithiophene (ADT) is a front-runner in the world of small molecule semiconductors for photo electronics and organic electronics (OE), especially in OPV is abbreviated organic photovoltaics and OFET is abbreviated organic field effect transistors. In this study, ADT was optimized using the Hartree-Fock (HF) and the density functional theory (DFT). The highest occupied molecular orbital (HOMO), “conduction band” and lowest occupied molecular orbital (LUMO), “valance band” were computed and from here band gap energy was obtained. In addition, electrostatic potential map for the ADT molecular levels were indicated and explained in detail. Results of using two methods such as DFT and HF theory, confirmation of DFT is much better than the HF theory. 

Band gap energy, Anthradithiophene, Electrostatic potential map, Density Functional Theory, Hartree-Fock Theory
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Primary Language en
Subjects Physics, Applied
Journal Section Articles
Authors

Orcid: 1234-1234-1234-1234
Author: Hazhar HAMAD (Primary Author)
Country: Iraq


Dates

Application Date : July 10, 2019
Acceptance Date : July 16, 2019
Publication Date : July 19, 2019

Bibtex @letter { jphcfum590394, journal = {Journal of Physical Chemistry and Functional Materials}, issn = {2651-3080}, address = {}, publisher = {Niyazi BULUT}, year = {2019}, volume = {2}, pages = {37 - 39}, doi = {}, title = {Physical Properties of Anthra [2,3-b;6,7-b'] Dithiophene Organic Material}, key = {cite}, author = {HAMAD, Hazhar} }
APA HAMAD, H . (2019). Physical Properties of Anthra [2,3-b;6,7-b'] Dithiophene Organic Material. Journal of Physical Chemistry and Functional Materials , 2 (1) , 37-39 . Retrieved from https://dergipark.org.tr/en/pub/jphcfum/issue/45047/590394
MLA HAMAD, H . "Physical Properties of Anthra [2,3-b;6,7-b'] Dithiophene Organic Material". Journal of Physical Chemistry and Functional Materials 2 (2019 ): 37-39 <https://dergipark.org.tr/en/pub/jphcfum/issue/45047/590394>
Chicago HAMAD, H . "Physical Properties of Anthra [2,3-b;6,7-b'] Dithiophene Organic Material". Journal of Physical Chemistry and Functional Materials 2 (2019 ): 37-39
RIS TY - JOUR T1 - Physical Properties of Anthra [2,3-b;6,7-b'] Dithiophene Organic Material AU - Hazhar HAMAD Y1 - 2019 PY - 2019 N1 - DO - T2 - Journal of Physical Chemistry and Functional Materials JF - Journal JO - JOR SP - 37 EP - 39 VL - 2 IS - 1 SN - 2651-3080- M3 - UR - Y2 - 2019 ER -
EndNote %0 Journal of Physical Chemistry and Functional Materials Physical Properties of Anthra [2,3-b;6,7-b'] Dithiophene Organic Material %A Hazhar HAMAD %T Physical Properties of Anthra [2,3-b;6,7-b'] Dithiophene Organic Material %D 2019 %J Journal of Physical Chemistry and Functional Materials %P 2651-3080- %V 2 %N 1 %R %U
ISNAD HAMAD, Hazhar . "Physical Properties of Anthra [2,3-b;6,7-b'] Dithiophene Organic Material". Journal of Physical Chemistry and Functional Materials 2 / 1 (July 2019): 37-39 .
AMA HAMAD H . Physical Properties of Anthra [2,3-b;6,7-b'] Dithiophene Organic Material. Journal of Physical Chemistry and Functional Materials. 2019; 2(1): 37-39.
Vancouver HAMAD H . Physical Properties of Anthra [2,3-b;6,7-b'] Dithiophene Organic Material. Journal of Physical Chemistry and Functional Materials. 2019; 2(1): 39-37.