Carbon-chain length substituent effects on Cu(II) phthalocyanines as dopant-free hole-transport materials for perovskite solar cells

Feng, Yaomiao; Chen, Qian; Dong, Lei; Zhang, Zihao; Li, Chen; Yang, Songhe; Cai, Siyuan; Xu, Zong-Xiang

2019-05-15

10.1016/j.solener.2019.04.019

SOLAR ENERGY   影响因子和分区

0038-092X

Owing to their excellent thermal and chemical stability properties, low cost, and easy purification processes, metal phthalocyanines have received extensive research attention. To reveal the influence of alkyl-chain length of substituents on phthalocyanines rings, we prepared three small organic molecules based on copper phthalocyanine rings substituted with end-capping ethyl, butyl, and hexyl, alkyl groups. The molecular orientation and intermolecular pi-pi stacking of these materials were affected by the alkyl chains, resulting in different hole mobilities. The crystallization of the phthalocyanines improved as the carbon chain length was extended, which we attributed to increased intermolecular pi-pi stacking. We used density functional theory calculations and solution cyclic voltammetry and ionization potential measurements to confirm a small difference in the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) levels. The morphology, molecular orientation and pi-stacking were affected by the introduction of alkyl chains and resulted in differences in the photovoltaic performance of solution processed PSC based on these copper phthalocyanines. The long-term stability of devices based on CuEtPc, CuBuPc, and CuHePc was improved by elongating the carbon chains because of the better hydrophobicity of the phthalocyanines.

Alkyl-chain length Copper(II) phthalocyanine Dopant-free hole-transport materials Perovskite solar cell

SCI ; EI

英语

第一 ; 通讯

Special Funds for the Development of Strategic Emerging Industries in Shenzhen[JCYJ20170412154240645]

Energy & Fuels

Energy & Fuels

WOS:000466823400057

PERGAMON-ELSEVIER SCIENCE LTD

20191606799378

Carbon ; Chain length ; Chemical stability ; Cyclic voltammetry ; Density functional theory ; Field effect transistors ; Hole mobility ; Ionization potential ; Molecular orbitals ; Molecular orientation ; Organic polymers ; Perovskite ; Perovskite solar cells ; Solar cells

Minerals:482.2 ; Solar Cells:702.3 ; Semiconducting Materials:712.1 ; Semiconductor Devices and Integrated Circuits:714.2 ; Chemistry:801 ; Chemical Products Generally:804 ; Organic Polymers:815.1.1 ; Probability Theory:922.1 ; Mechanics:931.1

ENGINEERING

Web of Science

South Univ Sci & Technol China, Dept Chem, Shenzhen 518055, Guangdong, Peoples R China

Feng, Yaomiao,Chen, Qian,Dong, Lei,et al. Carbon-chain length substituent effects on Cu(II) phthalocyanines as dopant-free hole-transport materials for perovskite solar cells[J]. SOLAR ENERGY,2019,184:649-656.

Feng, Yaomiao.,Chen, Qian.,Dong, Lei.,Zhang, Zihao.,Li, Chen.,...&Xu, Zong-Xiang.(2019).Carbon-chain length substituent effects on Cu(II) phthalocyanines as dopant-free hole-transport materials for perovskite solar cells.SOLAR ENERGY,184,649-656.

Feng, Yaomiao,et al."Carbon-chain length substituent effects on Cu(II) phthalocyanines as dopant-free hole-transport materials for perovskite solar cells".SOLAR ENERGY 184(2019):649-656.