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The central role of ligand conjugation for properties of coordination complexes as hole-transport materials in perovskite solar cells

DOI: 10.1021/acsaem.9b01223 DOI Help

Authors: Wei Zhang (KTH Royal Institute of Technology) , Yong Hua (KTH Royal Institute of Technology) , Linqin Wang (KTH Royal Institute of Technology) , Biaobiao Zhang (KTH Royal Institute of Technology) , Yuanyuan Liu (KTH Royal Institute of Technology) , Peng Liu (KTH Royal Institute of Technology) , Valentina Leandri (KTH Royal Institute of Technology) , Yu Guo (KTH Royal Institute of Technology) , Hong Chen (KTH Royal Institute of Technology) , James M. Gardner (KTH Royal Institute of Technology) , Licheng Sun (KTH Royal Institute of Technology; Dalian University of Technology (DUT)) , Lars Kloo (KTH Royal Institute of Technology)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Acs Applied Energy Materials

State: Published (Approved)
Published: August 2019
Diamond Proposal Number(s): 15819 , 20805

Abstract: Two zinc-based coordination complexes Y3 and Y4 have been synthesized, characterized and their performance as hole-transport materials (HTMs) for perovskite solar cells (PSCs) have been investigated. The complex Y3 contains two separate ligands, and the molecular structure can be seen as a dis-connected porphyrin ring. On the other hand, Y4 consists of a porphyrin core, and therefore a more extended conjugated system as compared to Y3. The optical and redox properties of the two different molecular complexes are comparable. However, the hole-mobility and conductivity of Y4 as macroscopic material are remarkably higher than that of Y3. Furthermore, when employed as hole-transport materials in perovskite solar cells, cells containing Y4 show a power conversion efficiency (PCE) of 16.05%, comparable to the Spiro-OMeTAD based solar cells with an efficiency around 17.08%. In contrast, solar cells based on Y3 show a negligible efficiency of about 0.01%. The difference in performance of Y3 and Y4 are analyzed and can be attributed to the difference in packing of the non-planar and planar building blocks in the corresponding materials.

Journal Keywords: Ligand conjugation; coordination complex; porphyrin; hole-transport material; perovskite

Subject Areas: Materials, Chemistry, Energy

Instruments: I19-Small Molecule Single Crystal Diffraction