Structure-Property Relationships of Precisely Chlorinated Thiophene-Substituted Acceptors

Tan, Pu1,2; Liu, Longzhu1,2; Chen, Zi-Yi1,2; Lai, Hanjian1,2; Zhu, Yulin1,2; Chen, Hui1,2,3; Zheng, Nan4; Zhang, Yuanzhu1,2; He, Feng1,2,5

2021-09-01

10.1002/adfm.202106524

ADVANCED FUNCTIONAL MATERIALS   影响因子和分区

1616-301X

1616-3028

Systematic investigation of three nonfullerene acceptors, BTIC-4Cl-T, BTIC-4Cl-TCl-gamma, and BTIC-4Cl-TCl-b, with or without a chlorine substituent at the gamma/b-position of the side chain thiophene ring, reveals that molecular planarity, stacking structure, and photovoltaic performance of the compounds are dependent on the position of the chlorine substituent. Of the materials using thiophenes in conjugated side chains, BTIC-4Cl-T shows a relatively lower open-circuit voltage of 0.81 V, decreased current density, leading to an efficiency of only 10.86%. BTIC-4Cl-TCl-gamma with chlorine at the gamma-position of the conjugated thiophene shows a 3D network structure, a greatly increased current density, and an efficiency of 14.35%. BTIC-4Cl-TCl-b, with a chlorine atom in b-position, is found to have been reformed to a quasi-3D network, in which electron hopping can be efficiently realized in adjacently positioned, linearly arranged molecules due to S center dot center dot center dot S interactions. With this quasi-3D network, BTIC-4Cl-TCl-b promotes the open-circuit voltage up to 0.86 V and has the highest efficiency (15.65%) among the three acceptors. These results prove that chlorination is an effective strategy to improve photovoltaic performance and highlights the decisive relationship between structural regulation and molecular arrangement. It also provides a good starting point for the exploration and design of next generation high-performance materials.

3D network chlorination photovoltaic performance quasi-3D network structure-property relationship

SCI ; EI

英语

NI论文

第一 ; 通讯

National Natural Science Foundation of China[21733005,51773087,21975115,51903116]

Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics

Chemistry, Multidisciplinary ; Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter

WOS:000695112500001

WILEY-V C H VERLAG GMBH

20213710888301

Chlorine ; Efficiency ; Open circuit voltage ; Organic polymers

Chemical Products Generally:804 ; Organic Compounds:804.1 ; Organic Polymers:815.1.1 ; Production Engineering:913.1

MATERIALS SCIENCE

Web of Science

1.Southern Univ Sci & Technol, Shenzhen Grubbs Inst, Shenzhen 518055, Peoples R China
2.Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Peoples R China
3.Southern Univ Sci & Technol, Acad Adv Interdisciplinary Studies, Shenzhen 518055, Peoples R China
4.South China Univ Technol, State Key Lab Luminescent Mat & Devices, Inst Polymer Optoelect Mat & Devices, Guangzhou 510640, Peoples R China
5.Southern Univ Sci & Technol, Guangdong Prov Key Lab Catalysis, Shenzhen 518055, Guangdong, Peoples R China

Tan, Pu,Liu, Longzhu,Chen, Zi-Yi,et al. Structure-Property Relationships of Precisely Chlorinated Thiophene-Substituted Acceptors[J]. ADVANCED FUNCTIONAL MATERIALS,2021,31.

Tan, Pu.,Liu, Longzhu.,Chen, Zi-Yi.,Lai, Hanjian.,Zhu, Yulin.,...&He, Feng.(2021).Structure-Property Relationships of Precisely Chlorinated Thiophene-Substituted Acceptors.ADVANCED FUNCTIONAL MATERIALS,31.

Tan, Pu,et al."Structure-Property Relationships of Precisely Chlorinated Thiophene-Substituted Acceptors".ADVANCED FUNCTIONAL MATERIALS 31(2021).