Molecular Design Strategy in Developing Titanyl Phthalocyanines as Dopant-Free Hole-Transporting Materials for Perovskite Solar Cells: Peripheral or Nonperipheral Substituents?

Hu, Qikun1; Rezaee, Ehsan1; Li, Minzhang1; Chen, Qian1; Cao, Yu3; Mayukh, Mayank3; McGrath, Dominic V.3; Xu, Zong-Xiang1,2

2019-10-09

10.1021/acsami.9b09490

ACS Applied Materials & Interfaces   影响因子和分区

1944-8244

1944-8252

We demonstrate a molecular design strategy to enhance the efficiency of phthalocyanine (Pc)-based hole-transporting materials (HTMs) in perovskite solar cells (PSCs). Herein, two titanyl phthalocyanine (TiOPc) derivatives are designed and applied as dopant-free HTMs in planar n-i-p-structured PSCs. The newly developed TiOPc compounds possess eight n-hexylthio groups attached to either peripheral (P-SC6-TiOPc) or nonperipheral (NP-SC6-TiOPc) positions of the Pc ring. Utilizing these dopant-free HTMs in PSCs with a mixed cation perovskite as the light absorbing material and tin oxide (SnO2) as the electron-transporting material (ETM) results in a considerably enhanced efficiency for NP-SC6-TiOPc-based devices compared to PSCs using P-SC6-TiOPc. Hence, all of the photovoltaic parameters, including power conversion efficiency (PCE), fill factor, open-circuit voltage, and short-circuit current density, are remarkably improved from 5.33 +/- 1.01%, 33.34 +/- 3.45%, 0.92 +/- 0.18 V, and 17.33 +/- 2.08 mA cm(-2) to 15.83 +/- 0.44%, 69.03 +/- 1.59%, 1.05 +/- 0.01 V, and 21.80 +/- 0.36 mA cm(-2), respectively, when using the nonperipheral-substituted TiOPc derivative as the HTM in a PSC. Experimental and computational analysis suggests more compact molecular packing for NP-SC6-TiOPc than P-SC6-TiOPc in the solid state due to stronger pi-pi interactions, leading to thin films with better quality and higher performance in hole extraction and transportation. PSCs with NP-SC6-TiOPc also offer much higher long-term stability than P-SC6-TiOPc-based devices under ambient conditions with a relative humidity of 75%.

perovskite solar cells hole-transporting materials titanyl phthalocyanines nonperipheral substituents power conversion efficiency

SCI ; EI

英语

第一 ; 通讯

National Science Foundation[CHE-0719437] ; National Science Foundation[CHE-1464530]

Science & Technology - Other Topics ; Materials Science

Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary

WOS:000490357900026

AMER CHEMICAL SOC

20194107508895

Conversion efficiency ; Efficiency ; Hole mobility ; Open circuit voltage ; Perovskite ; Tin oxides

Minerals:482.2 ; Energy Conversion Issues:525.5 ; Semiconducting Materials:712.1 ; Inorganic Compounds:804.2 ; Production Engineering:913.1

Web of Science

1.Southern Univ Sci & Technol, Dept Chem, Shenzhen 518000, Guangdong, Peoples R China
2.Shenzhen Engn Res & Dev Ctr Flexible Solar Cells, Shenzhen 518055, Guangdong, Peoples R China
3.Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA

Hu, Qikun,Rezaee, Ehsan,Li, Minzhang,et al. Molecular Design Strategy in Developing Titanyl Phthalocyanines as Dopant-Free Hole-Transporting Materials for Perovskite Solar Cells: Peripheral or Nonperipheral Substituents?[J]. ACS Applied Materials & Interfaces,2019,11(40):36535-36543.

Hu, Qikun.,Rezaee, Ehsan.,Li, Minzhang.,Chen, Qian.,Cao, Yu.,...&Xu, Zong-Xiang.(2019).Molecular Design Strategy in Developing Titanyl Phthalocyanines as Dopant-Free Hole-Transporting Materials for Perovskite Solar Cells: Peripheral or Nonperipheral Substituents?.ACS Applied Materials & Interfaces,11(40),36535-36543.

Hu, Qikun,et al."Molecular Design Strategy in Developing Titanyl Phthalocyanines as Dopant-Free Hole-Transporting Materials for Perovskite Solar Cells: Peripheral or Nonperipheral Substituents?".ACS Applied Materials & Interfaces 11.40(2019):36535-36543.