Understanding the p-doping of spiroOMeTAD by tris(pentafluorophenyl)borane
Abstract
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 themore »
- Authors:
-
- 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
- Publication Date:
- Research Org.:
- Univ. of California, Santa Barbara, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1977076
- Grant/Contract Number:
- SC0017659
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Electrochimica Acta
- Additional Journal Information:
- Journal Volume: 424; Journal Issue: C; Journal ID: ISSN 0013-4686
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Electrochemistry; Hole transport; Charge transfer; Doping; Organic semiconductors; Solar cells; Solid-state NMR; NMR crystallography; EPR; Perovskites; Interfaces
Citation Formats
Raval, Parth, Dhennin, Margot, Vezin, Hervé, Pawlak, Tomasz, Roussel, Pascal, Nguyen, Thuc-Quyen, and Manjunatha Reddy, G. N. Understanding the p-doping of spiroOMeTAD by tris(pentafluorophenyl)borane. United States: N. p., 2022.
Web. doi:10.1016/j.electacta.2022.140602.
Raval, Parth, Dhennin, Margot, Vezin, Hervé, Pawlak, Tomasz, Roussel, Pascal, Nguyen, Thuc-Quyen, & Manjunatha Reddy, G. N. Understanding the p-doping of spiroOMeTAD by tris(pentafluorophenyl)borane. United States. https://doi.org/10.1016/j.electacta.2022.140602
Raval, Parth, Dhennin, Margot, Vezin, Hervé, Pawlak, Tomasz, Roussel, Pascal, Nguyen, Thuc-Quyen, and Manjunatha Reddy, G. N. Sun .
"Understanding the p-doping of spiroOMeTAD by tris(pentafluorophenyl)borane". United States. https://doi.org/10.1016/j.electacta.2022.140602. https://www.osti.gov/servlets/purl/1977076.
@article{osti_1977076,
title = {Understanding the p-doping of spiroOMeTAD by tris(pentafluorophenyl)borane},
author = {Raval, Parth and Dhennin, Margot and Vezin, Hervé and Pawlak, Tomasz and Roussel, Pascal and Nguyen, Thuc-Quyen and Manjunatha Reddy, G. N.},
abstractNote = {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.},
doi = {10.1016/j.electacta.2022.140602},
journal = {Electrochimica Acta},
number = C,
volume = 424,
place = {United States},
year = {Sun May 22 00:00:00 EDT 2022},
month = {Sun May 22 00:00:00 EDT 2022}
}
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