Achieving Small Exciton Binding Energies in Small Molecule Acceptors for Organic Solar Cells: Effect of Molecular Packing
文献类型：期刊论文
| 作者 | Zhu, Lingyun; Tu, Zeyi; Yi, Yuanping; Wei, Zhixiang |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY LETTERS
 |
| 出版日期 | 2019-09-05 |
| 卷号 | 10期号:17页码:4888-4894 |
| ISSN号 | 1948-7185 |
| DOI | 10.1021/acs.jpclett.9b02161 |
| 英文摘要 | Because of strong exciton binding energy (E-b), an exciton dissociation process and extra energy losses are present in organic solar cells relative to inorganic and perovskite solar cells. Here, we calculated the E-b of a series of small molecule acceptors in solid crystals by a self-consistent quantum mechanics/embedded charge approach. The results show that the E-b values are substantially reduced from the gas phase to solid state because of electronic polarization (mainly from the induction effect of charges). Moreover, in contrast to little changes in the gas phase, the E-b in the solid state can vary significantly, indicating an important molecular packing effect. Remarkably, an extremely weak E-b of 0.04 eV is achieved in a three-dimensional packing crystal, which is comparable to the E(b )of organo-lead trihalide perovskites. This work underlines the importance of three-dimensional molecular packing for achieving small E-b and will be helpful in reducing energy losses in organic solar cells. |
| 语种 | 英语 |
| WOS记录号 | WOS:000484884300020 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/82607]  |
| 专题 | 中国科学院化学研究所 |
| 作者单位 | Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhu, Lingyun,Tu, Zeyi,Yi, Yuanping,et al. Achieving Small Exciton Binding Energies in Small Molecule Acceptors for Organic Solar Cells: Effect of Molecular Packing[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2019,10(17):4888-4894. |
| APA | Zhu, Lingyun,Tu, Zeyi,Yi, Yuanping,&Wei, Zhixiang.(2019).Achieving Small Exciton Binding Energies in Small Molecule Acceptors for Organic Solar Cells: Effect of Molecular Packing.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,10(17),4888-4894. |
| MLA | Zhu, Lingyun,et al."Achieving Small Exciton Binding Energies in Small Molecule Acceptors for Organic Solar Cells: Effect of Molecular Packing".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 10.17(2019):4888-4894. |
入库方式： OAI收割
来源：化学研究所
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