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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

文献类型：期刊论文

作者Abbas, Faheem1,2; Ali, Usman2,3,4; Ahmad, Hafiz Muhammad Rizwan5,6; Tallat, Aqsa2; Shehzad, Aamir7; Zeb, Zonish1; Hussain, Iqbal4,8; Saeed, Aamir4,8
刊名OPTICAL AND QUANTUM ELECTRONICS
出版日期2022
卷号54期号:1页码:15
关键词Sub-phthalocyanines Triangular OSCs Optical properties Density of states Transition density matrix Non-fullerene acceptors
ISSN号0306-8919
DOI10.1007/s11082-021-03413-w
英文摘要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.
WOS关键词SUBPHTHALOCYANINES ; FUNCTIONALS
WOS研究方向Engineering ; Physics ; Optics
语种英语
WOS记录号WOS:000723661800006
出版者SPRINGER
源URL[http://ir.ipe.ac.cn/handle/122111/51196]  
专题中国科学院过程工程研究所
通讯作者Ali, Usman
作者单位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
推荐引用方式
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.

入库方式： OAI收割

来源：过程工程研究所

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