The cis- and trans-orientation of benzo[1,2-b:4,5-b ']dithiophene-based isomers in organic solar cells

Lai, Hanjian1,2,3; Guo, Meigen2,3,4; Zhu, Yulin2,3; Chen, Lin2,3; Tan, Pu2,3; Yang, Chuluo4; He, Feng2,3

2021-02-07

10.1039/d0qm00778a

MATERIALS CHEMISTRY FRONTIERS   影响因子和分区

2052-1537

Significant breakthroughs have been achieved in bulk-heterojunction (BHJ)-based organic solar cells (OSCs) with power conversion efficiencies (PCE) of over 17% upon the development of new cores of non-fullerene acceptors and the isomers that are often produced in the synthesis of the cores. Here, two benzo[1,2-b:4,5-b ']dithiophene (BDT)-based acceptors, which are isomers with different orientations of the thiophene rings on the backbone, are reported. The different molecular configurations and electron cloud distributions of the isomers were studied using theoretical calculations, which indicate that the isomers have completely different optical properties and various electrochemical energy levels. Grazing-incidence wide-angle X-ray scattering (GIWAXS) tests showed that the two isomers have different crystalline structures. OSC devices developed from each of the two isomers exhibit significant differences in electron/hole mobilities and packing modes, leading to clearly distinct fill factors (FFs) and short-circuit currents, affecting the PCEs of the final devices. These studies of core isomerism provide some new insights into the configurations of backbones and could assist in the molecular design of new n-type electron acceptors.

SCI ; EI

英语

通讯

National Natural Science Foundation of China[21975115,21733005,51773087,51903116] ; Shenzhen Fundamental Research Program["JCYJ20180302180238419","KQJSCX20180319114442157"] ; Shenzhen Nobel Prize Scientists Laboratory Project[C17213101] ; Guangdong Provincial Key Laboratory of Catalysis[2020B121201002] ; Guangdong Innovative and Entrepreneurial Research Team Program[2016ZT06G587] ; Shenzhen Sci-Tech Fund[KYTDPT20181011104007] ; US Department of Energy, Office of Science, Office of Basic Energy Sciences[DE-AC02-06CH11357]

Chemistry ; Materials Science

Chemistry, Multidisciplinary ; Materials Science, Multidisciplinary

WOS:000617255100035

ROYAL SOC CHEMISTRY

20210709934862

Heterojunctions ; Optical properties ; Organic solar cells ; Stereochemistry ; X ray scattering

Semiconductor Devices and Integrated Circuits:714.2 ; Light/Optics:741.1 ; Chemistry:801 ; Chemical Products Generally:804 ; High Energy Physics:932.1

Web of Science

1.Harbin Inst Technol, Sch Chem & Chem Engn, Harbin 150001, Peoples R China
2.Southern Univ Sci & Technol, Shenzhen Grubbs Inst, Shenzhen 518055, Peoples R China
3.Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Peoples R China
4.Shenzhen Univ, Coll Mat Sci & Engn, Shenzhen Key Lab Polymer Sci & Technol, Shenzhen 518060, Peoples R China

Lai, Hanjian,Guo, Meigen,Zhu, Yulin,et al. The cis- and trans-orientation of benzo[1,2-b:4,5-b ']dithiophene-based isomers in organic solar cells[J]. MATERIALS CHEMISTRY FRONTIERS,2021,5(3):1486-1494.

Lai, Hanjian.,Guo, Meigen.,Zhu, Yulin.,Chen, Lin.,Tan, Pu.,...&He, Feng.(2021).The cis- and trans-orientation of benzo[1,2-b:4,5-b ']dithiophene-based isomers in organic solar cells.MATERIALS CHEMISTRY FRONTIERS,5(3),1486-1494.

Lai, Hanjian,et al."The cis- and trans-orientation of benzo[1,2-b:4,5-b ']dithiophene-based isomers in organic solar cells".MATERIALS CHEMISTRY FRONTIERS 5.3(2021):1486-1494.