Quantum Chemical Investigation of the Photovoltaic Properties of Conjugated Molecules Based Oligothiophene and Carbazole

Authors

  • M.N. Bennani
  • Mohamed Bouachrine
  • Mohamed Hamidi
  • N. Belghiti
  • Si Mohamed Bouzzine
Abstract:

The research in the organic π-conjugated molecules and polymers based on thiophenehas become one of the most interesting topics in the field of chemistry physics and materials science. These compounds have become the most promising materials for the optoelectronic device technology.. The use of low band gap materials is a viable method for better harvesting of the solar spectrum and increasing its efficiency. The control of the band gap of these materials is a research issue of ongoing interest. In this work, a quantum chemical investigation has been performed to explore the optical and electronic properties of a series of different compounds based onthiophene and carbazole. Different electron side groups were introduced to investigate their effects on the electronic structure. The theoretical knowledge of the HOMO and LUMO energy levels of the components is basic in studying organic solar cells so the HOMO, LUMO and Gap energy of the studied compounds have been calculated and reported. These properties suggest these materials as a good candidate for organic solar cells.

Upgrade to premium to download articles

Sign up to access the full text

Already have an account?login

similar resources

The DFT chemical investigations of optoelectronic and photovoltaic properties of short-chain conjugated molecules

The research in the short-chain organic -conjugated molecules has become one of the most interesting topics in the fields of chemistry. These compounds have become the most promising materials for the optoelectronic device technology. The use of low band gap materials is a viable method for better harvesting of the solar spectrum and increasing its efficiency. The control of the band gap of th...

full text

investigation of the electronic properties of carbon and iii-v nanotubes

boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...

15 صفحه اول

the dft chemical investigations of optoelectronic and photovoltaic properties of short-chain conjugated molecules

the research in the short-chain organic -conjugated molecules has become one of the most interesting topics in the fields of chemistry. these compounds have become the most promising materials for the optoelectronic device technology. the use of low band gap materials is a viable method for better harvesting of the solar spectrum and increasing its efficiency. the control of the band gap of th...

full text

investigation of gassing behavior, electric and dielectric properties of different insulating fluids.

ترانسفورماتورهای قدرت از اجزای اصلی شبکه تامین انرژی الکتریکی می باشند که عملکرد قابل اطمینان ترانسفورماتورها یکی از فاکتورهای مهم و تعیین کننده در تامین انرژی الکتریکی محسوب می شود. در نتیجه بررسی و مانیتور عملکرد ترانسفورماتورها در شبکه و همچنین عیب یابی این ترانسفورماتورها غیرقابل اجتناب و ضروری می باشد. به طور کلی عایق های مایع در صنعت فشار قوی کاربردهای متفاوتی دارند که مهمترین وظیفه آنها...

15 صفحه اول

My Resources

Save resource for easier access later

Save to my library Already added to my library

{@ msg_add @}


Journal title

volume 7  issue 4

pages  71- 84

publication date 2013-11-01

By following a journal you will be notified via email when a new issue of this journal is published.

Hosted on Doprax cloud platform doprax.com

copyright © 2015-2023