2021
DOI: 10.5267/j.ccl.2021.4.002
|View full text |Cite
|
Sign up to set email alerts
|

The optoelectronic properties of π-conjugated organic molecules based on terphenyl and pyrrole for BHJ solar cells: DFT / TD-DFT theoretical study

Abstract: In the present paper, four π-conjugated materials, based on terphenyl and pyrrole, with A–D–A structure have been theoretically studied to propose new organic compounds to be used in the organic solar cell field. Moreover, the geometrical and optoelectronic properties of the designed molecules M1, M2, M3 and M4 have been computed after optimization in their fundamental states, using the quantum chemical method DFT / B3LYP/ 6−311G (d, p). Different parameters including HOMO and LUMO energy levels, bandgap energ… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
4
1

Citation Types

0
14
0

Year Published

2022
2022
2025
2025

Publication Types

Select...
6

Relationship

0
6

Authors

Journals

citations
Cited by 10 publications
(14 citation statements)
references
References 1 publication
0
14
0
Order By: Relevance
“…After that, studies on the stability [121][122][123][124] of this cluster were performed. Also, in parallel with those studies, investigations on the other properties of this small carbon cage, such as its electronic [125], magnetic moment formation [126], its memory effects on the other surfaces [127], energy storage [128], electron transport [129], and optoelectronic behavior [130] were performed. Moreover, Baei's works [131,132] and Siadati et al systematic studies on especial adsorption [37][38][39][40], sensing [133][134][135][136], and nanosized actuating applications [137] might be of important reports in this especial field.…”
Section: Current Application Of C20 Fullerenesmentioning
confidence: 99%
“…After that, studies on the stability [121][122][123][124] of this cluster were performed. Also, in parallel with those studies, investigations on the other properties of this small carbon cage, such as its electronic [125], magnetic moment formation [126], its memory effects on the other surfaces [127], energy storage [128], electron transport [129], and optoelectronic behavior [130] were performed. Moreover, Baei's works [131,132] and Siadati et al systematic studies on especial adsorption [37][38][39][40], sensing [133][134][135][136], and nanosized actuating applications [137] might be of important reports in this especial field.…”
Section: Current Application Of C20 Fullerenesmentioning
confidence: 99%
“…In OSC materials, the active layer generally consists of two components (i.e., a donor and an acceptor material), which are mounted in a two-layered structure or in the form of a mixture. It is worth mentioning that such an arrangement is observed in PCBM and its derivatives, which are mostly used as electron acceptor materials [8,14].…”
Section: Introductionmentioning
confidence: 83%
“…OLED devices find applications in display and lighting [5,6], while OSC devices are most promising for electrical energy applications [7]. Organic electronics based on small π-conjugated molecules and polymers are ideal for optoelectronic applications due to their absorption, light emission, and charge transport properties [4][5][6][7][8]. Although enormous advances have been made in the search and development of new materials, the low efficiency and thermal stability of small molecule-based organic electronics materials still remain a problem for their application and has limited their marketing.…”
Section: Introductionmentioning
confidence: 99%
See 2 more Smart Citations