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| Body centered non-fullerene acceptors substitution on triangular shaped Sub-phthalocyanines (SubPcs) based A-D-A organic solar cells: A step toward new strategies for better performances | |
| Abbas, Faheem1,2; Ali, Usman2,3,4; Ahmad, Hafiz Muhammad Rizwan5,6; Tallat, Aqsa2; Shehzad, Aamir7; Zeb, Zonish1; Hussain, Iqbal4,8; Saeed, Aamir4,8 | |
| 2022 | |
| Source Publication | OPTICAL AND QUANTUM ELECTRONICS
 |
| ISSN | 0306-8919 |
| Volume | 54Issue:1Pages:15 |
| Abstract | For Acceptor-Donor-Accepter (A-D-A) type of triangular shaped sub-phthalocyanines (SubPcs) donor molecules namely SubPcs-EDM (sub-phthalocyanines-ethylidene di-malononitrile as M1), SubPcs-ETFM (sub-phthalocyanines-ethylidene tetrafluoro-malononitrile as M2), SubPcs-ETFOM (sub-phthalocyanines-ethylidene tetrafluoro-oxo malononitrile as M3) and SubPcs-EOM (sub-phthalocyanines-ethylidene oxo malononitrile as M4) have been designed for computing its optoelectronic properties with state-of-the-art density functional theory B3LYP/LanL2DZ (d, p) model. In designed molecules, the non-fullerene acceptors are attached at the center of donor moieties. The SubPcs-ETFOM exhibited lowest band gap of energy 2.48 eV with broad absorption band at 645.53 nm. The open circuit voltage (V-OC) of M3 is 2.55 V in comparison with phenyl-C-60-butyric acid methyl ester which abbreviated as PCBM. This computational study explains that engineered molecules are seemly superb, suitable and suggested for further construction of high performance organic solar cells. |
| Keyword | Sub-phthalocyanines Triangular OSCs Optical properties Density of states Transition density matrix Non-fullerene acceptors |
| DOI | 10.1007/s11082-021-03413-w |
| Language | 英语 |
| WOS Keyword | SUBPHTHALOCYANINES ; FUNCTIONALS |
| WOS Research Area | Engineering ; Physics ; Optics |
| WOS Subject | Engineering, Electrical & Electronic ; Quantum Science & Technology ; Optics |
| WOS ID | WOS:000723661800006 |
| Publisher | SPRINGER |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ipe.ac.cn/handle/122111/51197 |
| Collection | 中国科学院过程工程研究所 |
| Corresponding Author | Ali, Usman |
| Affiliation | 1.Tsinghua Univ, Dept Chem, Minist Educ, Key Lab Organ Optoelect & Mol Engn, Beijing 100084, Peoples R China 2.Univ Agr Faisalabad, Dept Chem, Faisalabad 38040, Pakistan 3.Chinese Acad Sci, Inst Chem, Key Labs Organ Solids, Beijing Natl Labs Mol Sci, Beijing 100190, Peoples R China 4.Univ Chinese Acad Sci, Beijing 100190, Peoples R China 5.Xi An Jiao Tong Univ, Ctr Adv Mat Performance Nanoscale, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China 6.Int Islamic Univ, Dept Phys, Islamabad 44000, Pakistan 7.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 10090, Peoples R China 8.Chinese Acad Sci, Inst Proc Engn, Key Lab Green Proc & Engn, Beijing Key Labs Ion Liquids Clean Proc, Beijing 100190, Peoples R China |
| Recommended Citation GB/T 7714 | Abbas, Faheem,Ali, Usman,Ahmad, Hafiz Muhammad Rizwan,et al. Body centered non-fullerene acceptors substitution on triangular shaped Sub-phthalocyanines (SubPcs) based A-D-A organic solar cells: A step toward new strategies for better performances[J]. OPTICAL AND QUANTUM ELECTRONICS,2022,54(1):15. |
| APA | Abbas, Faheem.,Ali, Usman.,Ahmad, Hafiz Muhammad Rizwan.,Tallat, Aqsa.,Shehzad, Aamir.,...&Saeed, Aamir.(2022).Body centered non-fullerene acceptors substitution on triangular shaped Sub-phthalocyanines (SubPcs) based A-D-A organic solar cells: A step toward new strategies for better performances.OPTICAL AND QUANTUM ELECTRONICS,54(1),15. |
| MLA | Abbas, Faheem,et al."Body centered non-fullerene acceptors substitution on triangular shaped Sub-phthalocyanines (SubPcs) based A-D-A organic solar cells: A step toward new strategies for better performances".OPTICAL AND QUANTUM ELECTRONICS 54.1(2022):15. |
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