DFT and TD-DFT design of small π-conjugated molecules with narrow band gap and high efficiency for organic solar cells

2018 ◽  
Vol 137 (10) ◽  
Author(s):  
Tarek Mestiri ◽  
Kamel Alimi
Keyword(s):  
Solar Cells ◽  
Band Gap ◽  
Organic Solar Cells ◽  
High Efficiency ◽  
Narrow Band ◽  
Conjugated Molecules ◽  
Td Dft

Design and Properties of Intermediate-Sized Narrow Band-Gap Conjugated Molecules Relevant to Solution-Processed Organic Solar Cells

2014 ◽  
Vol 136 (15) ◽  
pp. 5697-5708 ◽  
Author(s):  
Xiaofeng Liu ◽  
Yanming Sun ◽  
Ben B. Y. Hsu ◽  
Andreas Lorbach ◽  
Li Qi ◽  
...  
Keyword(s):  
Solar Cells ◽  
Band Gap ◽  
Organic Solar Cells ◽  
Narrow Band ◽  
Conjugated Molecules ◽  
Solution Processed

scholarly journals Tunable Narrow Band Gap Absorbers For Ultra High Efficiency Solar Cells

2012 ◽  
Author(s):  
Salah M. Bedair ◽  
◽  
John R. Hauser ◽  
Nadia Elmasry ◽  
Peter C. Colter ◽  
...  
Keyword(s):  
Solar Cells ◽  
Band Gap ◽  
High Efficiency ◽  
Narrow Band ◽  
High Efficiency Solar Cells

Narrow band-gap oligomer for solution-processed heterojunction organic solar cells

2008 ◽  
Vol 158 (3-4) ◽  
pp. 125-129 ◽  
Author(s):  
Mingliang Sun ◽  
Li Wang ◽  
Bin Du ◽  
Yan Xiong ◽  
Ransheng Liu ◽  
...  
Keyword(s):  
Solar Cells ◽  
Band Gap ◽  
Organic Solar Cells ◽  
Narrow Band ◽  
Solution Processed

Narrow band gap isoindigo-based small molecules for solution-processed organic solar cells with high open-circuit voltage

2016 ◽  
Vol 220 ◽  
pp. 448-454 ◽  
Author(s):  
Changyan Ji ◽  
Lunxiang Yin ◽  
Bao Xie ◽  
Xiaochen Wang ◽  
Xu Li ◽  
...  
Keyword(s):  
Solar Cells ◽  
Small Molecules ◽  
Band Gap ◽  
Organic Solar Cells ◽  
Open Circuit Voltage ◽  
Narrow Band ◽  
Open Circuit ◽  
Solution Processed

Rational design of (D-A) copolymers towards high efficiency organic solar cells: DFT and TD-DFT study

2019 ◽  
Vol 89 ◽  
pp. 139-146 ◽  
Author(s):  
Walid Taouali ◽  
Mark E. Casida ◽  
Sami Znaidia ◽  
Kamel Alimi
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Rational Design ◽  
High Efficiency ◽  
Dft Study ◽  
Td Dft

Fluoro-benzoselenadiazole-based low band gap polymers for high efficiency organic solar cells

2014 ◽  
Vol 5 (2) ◽  
pp. 330-334 ◽  
Author(s):  
Yongxi Li ◽  
Zhe Pan ◽  
Lei Miao ◽  
Ying Xing ◽  
Chao Li ◽  
...  
Keyword(s):  
Solar Cells ◽  
Band Gap ◽  
Organic Solar Cells ◽  
High Efficiency ◽  
Low Band Gap ◽  
Low Band Gap Polymers

High efficiency organic solar cells with spray coated active layers comprised of a low band gap conjugated polymer

2012 ◽  
Vol 100 (8) ◽  
pp. 083301 ◽  
Author(s):  
Wanyi Nie ◽  
Robert C. Coffin ◽  
Jiwen Liu ◽  
Yuan Li ◽  
Eric D. Peterson ◽  
...  
Keyword(s):  
Solar Cells ◽  
Band Gap ◽  
Organic Solar Cells ◽  
Conjugated Polymer ◽  
High Efficiency ◽  
Low Band Gap ◽  
Active Layers

Computational Designing of Low Energy Band Gap of New Donor-Acceptor (D-A) Copolymer Monomers for Organic Solar Cells: DFT and TD-DFT Study

2020 ◽  
Vol 8 (2) ◽  
pp. 44-54
Author(s):  
Sri Charitha Annam ◽  
◽  
K.V. Padmavathi ◽  
N. Murali Krishna ◽  
Mannam Subbarao ◽  
...  
Keyword(s):  
Solar Cells ◽  
Band Gap ◽  
Organic Solar Cells ◽  
Open Circuit ◽  
Energy Band Gap ◽  
Td Dft ◽  
Donor Acceptor ◽  
A Chain ◽  
The Relationship ◽  
Homo Lumo

Via this look at efforts have been made to increase a chain of latest donor-acceptor (D-A) systems through the usage of 4-methoxy-2,7,nine-trimethyl-9H-carbazole (2,7-MMCB) as a electron donor and benzo[c][1,2,5] oxadiazole (BCO); benzo[c] [1,2,5] thiadiazole (BCT); benzo[c][1,2,5]selenadiazole (BCS); [1,2,5]oxadiazolo[3,4-c]pyridine (OCP); [1,2,5] thiadiazolo [3,4-c]pyridine (TCP); [1,2,5] selenadiazolo [3,4-c]pyridine (SCP); [1,2,5] oxadiazolo[3,4-d]pyridazine (ODP); [1,2,5] thiadiazolo[3,4-d]pyridazine (TDP) as electron acceptors. In this work, we executed calculations of DFT and TD-DFT/B3LYPmethod with /6-31G basis. Calculated and explored theoretical expertise of the HOMO, LUMO oenergies, the band gap (Eg), and the open-circuit voltage (Voc) of the studied compounds. To take a look at the relationship between molecularstructure and optoelectronic properties, the consequences of the extraordinary acceptor effect on the geometries and optoelectronic residences of those substances were discussed. The outcomes acquired show how the digital residences can be modified with many lessons of acceptors through the substituent and suggest that 2,7MMCB-ODP, 2,7MM CB-TDP, and 2,7MM CB-SDP are these compounds as suitable candidates for optoelectronic packages in solar cells inclusive of BHJ.

Efficient and photostable ternary organic solar cells with a narrow band gap non-fullerene acceptor and fullerene additive

2020 ◽  
Vol 8 (14) ◽  
pp. 6682-6691 ◽  
Author(s):  
Jinho Lee ◽  
Jong-Hoon Lee ◽  
Huifeng Yao ◽  
Hyojung Cha ◽  
Soonil Hong ◽  
...  
Keyword(s):  
Solar Cells ◽  
Band Gap ◽  
Organic Solar Cells ◽  
Narrow Band ◽  
Bulk Heterojunction ◽  
System P ◽  
Solid Additive

The simultaneous enhancement of efficiency and photostability in organic solar cells is successfully achieved by introducing a fullerene acceptor as a solid additive into anon-fullerene bulk heterojunction system.

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