Designing alkoxy-induced based high performance near infrared sensitive small molecule acceptors for organic solar cells
文献类型：期刊论文
| 作者 | Ans, Muhammad7; Paramasivam, Mahalingavelar6; Ayub, Khurshid5; Ludwig, Ralf4; Zahid, Muhammad3; Xiao, Xiudi2 ; Iqbal, Javed1,7
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| 刊名 | JOURNAL OF MOLECULAR LIQUIDS
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| 出版日期 | 2020-05-01 |
| 卷号 | 305页码:11 |
| 关键词 | Transition density matrix Fused ring electron acceptor Reorganization energy Non-fullerene acceptor Open circuit voltages Naphtho-dithiophene |
| ISSN号 | 0167-7322 |
| DOI | 10.1016/j.molliq.2020.112829 |
| 通讯作者 | Ans, Muhammad(ansbhatti24@gmail.com) ; Ayub, Khurshid(khurshid@cuiatd.edu.pk) ; Iqbal, Javed(Javedkhattak79@gmail.com) |
| 英文摘要 | Scientist are dedicated to design and synthesize efficient photovoltaic materials to overcome the energy crises. In this regard, herein, we have designed four new small acceptor molecules namely (A1, A2, A3 and A4) for better performance in organic solar cells. These molecules consist Alkoxy-Induced Naphtho-dithiophene core unit flanked with 2,2-ethylidene-5,6-dicyano-3-oxo-2,3-dihydroinden-1-ylidene-malononitrile (A1), methyl-2-cyano-2,2- ethylidene-5,6-difluoro-3-oxo-2,3-dihydroinden-1-ylidene-acetate (A2), 5,2-ethylidene-5,6-difluoro-3-oxo-2,3-dihydroinden-1-ylidene-3-methyl-2-thioxothiazolidin-4-one (A3) and 2,5-ethylidene-6oxo-5,6-dihydrocyclopenta-thiophen-4-ylidene-malononitrile (A4) end-capped acceptor groups. Their optical, electrical and geometries have been compared with reported molecule R. Frontier molecular orbital diagram reveal excellent charge transfer rate, The electron density is shifted from donor to acceptor unit. Among all, A1 exhibits the highest absorption in the visible region (lambda(max)) at 798 nm in chloroform solvent. The maximum open circuit voltage (2.08 V) is observed for A3 when blended with PTB7-Th donor polymer. All studied molecules have high charge mobilities due to lower reorganization energy values with respect to model molecule R. A1 has the highest electron mobility among all molecules due to lower value of reorganization energy which is 0.0034. Furthermore, all designed molecules show good Solubilities in organic solvent. A2 exhibit high value of dipole moment which reveal good solubilities in fabrication process. (C) 2020 Elsevier B.V. All rights reserved. |
| WOS关键词 | FULLERENE ELECTRON-ACCEPTOR ; EXCITON DISSOCIATION ; CONJUGATED POLYMER ; EFFICIENT ; PHOTOVOLTAICS ; FUNCTIONALS ; GENERATION ; PARAMETERS ; INTERFACE ; STABILITY |
| 资助项目 | Punjab Bio energy Institute (PBI) ; COMSATS University (Abbottabad campus) ; University of Agriculture, Faisalabad (UAF) |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000525306200016 |
| 出版者 | ELSEVIER |
| 资助机构 | Punjab Bio energy Institute (PBI) ; COMSATS University (Abbottabad campus) ; University of Agriculture, Faisalabad (UAF) |
| 源URL | [http://ir.giec.ac.cn/handle/344007/27043]  |
| 专题 | 中国科学院广州能源研究所 |
| 通讯作者 | Ans, Muhammad; Ayub, Khurshid; Iqbal, Javed |
| 作者单位 | 1.Univ Agr Faisalabad, Punjab Bioenergy Inst, Faisalabad 38040, Pakistan 2.Chinese Acad Sci, Guangzhou Inst Energy Convers, Guangzhou 510640, Peoples R China 3.Bahauddin Zakariya Univ, Inst Chem Sci, Div Analyt Chem, Multan 60800, Pakistan 4.Univ Rostock, Inst Chem, Abt Phys Chem, Doktor Lorenz Weg 1, D-18059 Rostock, Germany 5.COMSATS Univ, Dept Chem, Abbottabad Campus, Abbottabad 22060, Kpk, Pakistan 6.Univ Southern Mississippi, Ctr Optoelect Mat & Devices, Sch Polymer Sci & Engn, Hattiesburg, MS 39406 USA 7.Univ Agr Faisalabad, Dept Chem, Faisalabad 38000, Pakistan |
| 推荐引用方式 GB/T 7714 | Ans, Muhammad,Paramasivam, Mahalingavelar,Ayub, Khurshid,et al. Designing alkoxy-induced based high performance near infrared sensitive small molecule acceptors for organic solar cells[J]. JOURNAL OF MOLECULAR LIQUIDS,2020,305:11. |
| APA | Ans, Muhammad.,Paramasivam, Mahalingavelar.,Ayub, Khurshid.,Ludwig, Ralf.,Zahid, Muhammad.,...&Iqbal, Javed.(2020).Designing alkoxy-induced based high performance near infrared sensitive small molecule acceptors for organic solar cells.JOURNAL OF MOLECULAR LIQUIDS,305,11. |
| MLA | Ans, Muhammad,et al."Designing alkoxy-induced based high performance near infrared sensitive small molecule acceptors for organic solar cells".JOURNAL OF MOLECULAR LIQUIDS 305(2020):11. |
入库方式： OAI收割
来源：广州能源研究所
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