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Enhancing the stability and efficiency of MAPbI3 perovskite solar cells by theophylline-BF4 - alkaloid derivatives, a theoretical-experimental approach.

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González-Juárez, Edgar 
Espinosa-Roa, Arián  ORCID logo
Cadillo-Martínez, Alejandra T 
Garay-Tapia, Andrés M  ORCID logo
Amado-Briseño, Miguel A 


Perovskite solar cells (PSCs) are an evolving photovoltaic field with the potential to disrupt the established silicon solar cell market. However, the presence of many transport barriers and defect trap states at the interfaces and grain boundaries has negative effects on PSCs; it decreases their efficiency and stability. The purpose of this work was to investigate the effects on efficiency and stability achieved by quaternary theophylline additives in MAPbI3 PSCs with the structure FTO/TiO2/perovskite/spiro-OMeTAD/Ag. The X-ray photoelectron spectroscopy (XPS) and theoretical calculation strategies were applied to study the additive's interaction in the layer. The tetrafluoroborinated additive results in an increase in device current density (J SC) (23.99 mA cm-1), fill factor (FF) (65.7%), and open-circuit voltage (V OC) (0.95 V), leading to significant improvement of the power conversion efficiency (PCE) to 15.04% compared to control devices (13.6%). Notably, films exposed to controlled humidity of 30% using the tetrafluoroborinated additive maintained their stability for more than 600 hours (h), while the control films were stable for less than 240 hours (h).


Acknowledgements: This study was supported by CONACYT-Fondo Sectorial de Investigación para la Educación 2017–2018/A1-S-13267 and SENER-CONACyT under research project 256766. J. V. is funded by the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement no. 101025385


3403 Macromolecular and Materials Chemistry, 34 Chemical Sciences, 3406 Physical Chemistry

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Royal Society of Chemistry (RSC)
Consejo Nacional de Ciencia y Tecnología (2017–2018/A1-S-13267, 256766)