Understanding the p-doping of spiroOMeTAD by tris(pentafluorophenyl)borane

Raval, Parth; Dhennin, Margot; Vezin, Hervé; Pawlak, Tomasz; Roussel, Pascal; Nguyen, Thuc-Quyen; Manjunatha Reddy, G. N.

doi:10.1016/j.electacta.2022.140602

Understanding the p-doping of spiroOMeTAD by tris(pentafluorophenyl)borane

Journal Article · Sun May 22 00:00:00 EDT 2022 · Electrochimica Acta

DOI:https://doi.org/10.1016/j.electacta.2022.140602· OSTI ID:1977076

Raval, Parth ^[1]; Dhennin, Margot ^[2]; Vezin, Hervé ^[3]; Pawlak, Tomasz ^[4]; Roussel, Pascal ^[2]; Nguyen, Thuc-Quyen ^[5]; Manjunatha Reddy, G. N. ^[2]

University of Lille (France); Centre National de la Recherche Scientifique (CNRS) (France); Artois University, Arras (France); OSTI
University of Lille (France); Centre National de la Recherche Scientifique (CNRS) (France); Artois University, Arras (France)
University of Lille (France); Centre National de la Recherche Scientifique (CNRS) (France)
Polish Academy of Sciences (PAS), Lodz (Poland). Centre of Molecular and Macromolecular Studies
Univ. of California, Santa Barbara, CA (United States). Center for Polymers and Organic Solids

The solid-state organization of photoabsorber, hole and electron transporting layers, and interfaces between them plays an important role in governing the performance and stability of emerging optoelectronic devices such as perovskite solar cells (PSCs). The molecular organic semiconductor (OSC) 2,2' ,7,7' -tetrakis [N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene (spiroOMeTAD) is a promising hole-transporting material (HTM) for PSCs, which is p-doped by molecular dopants to augment the charge carrier mobility. Here, the p-type doping of spiroOMeTAD by tris(pentafluorophenyl)borane (BCF) is investigated by a combination of techniques including optical spectroscopy, X-ray diffraction, Fourier transform infrared (FTIR), solid-state (ss)NMR, and electron paramagnetic resonance (EPR) spectroscopy. BCF molecules interact with traces of water molecules to form BCF-water complexes. Optical spectroscopy analysis suggests that the BCF/BCF-water complexes oxidize spiroOMeTAD molecules and facilitate p-type doping of spiroOMeTAD molecules. The different distributions of BCF and BCF-water molecules in doped spiroOMeTAD are characterized by FTIR and 11B NMR spectroscopy. An NMR crystallography approach which combines two-dimensional (2D) ssNMR and crystallography modeling is employed to unravel the packing interactions in spiroOMeTAD, and this analysis is extended to probe the morphological and structural changes in spiroOMeTAD:BCF blends. The hyperfine interactions are characterized by 2D hyperfine sub-level correlation (HYSCORE) spectroscopy. In this way, insight into the complex spiroOMeTAD:BCF blend morphology is obtained and compared for different dopant concentrations. Further, molecular-level analysis of doped HTMs enabled by this study has much wider relevance for further investigation, for example, chemical design and interfacial engineering of p-type doped HTMs for stable and efficient hybrid perovskite photovoltaics.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of California, Santa Barbara, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0017659

OSTI ID:: 1977076

Journal Information:: Electrochimica Acta, Journal Name: Electrochimica Acta Journal Issue: C Vol. 424; ISSN 0013-4686

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Dopant Engineering for Spiro-OMeTAD Hole-Transporting Materials towards Efficient Perovskite Solar Cells Seo, Ji-Youn; Akin, Seckin; Zalibera, Michal Zenodo https://doi.org/10.5281/zenodo.5173213	dataset	January 2021
Adduct-based p-doping of organic semiconductors Snaith, H. J.; Riede, M.; Zhang, F. University of Oxford https://doi.org/10.5287/bodleian:zrmdxrzzb	dataset	January 2021

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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