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Nanoscale interfacial engineering enables highly stable and efficient perovskite photovoltaics
Energy & Environmental Science  (IF38.532),  Pub Date : 2021-09-16, DOI: 10.1039/d1ee02454j
Anurag Krishna, Hong Zhang, Zhiwen Zhou, Thibaut Gallet, Mathias Dankl, Olivier Ouellette, Felix T. Eickemeyer, Fan Fu, Sandy Sanchez, Mounir Mensi, Shaik M. Zakeeruddin, Ursula Rothlisberger, G. N. Manjunatha Reddy, Alex Redinger, Michael Grätzel, Anders Hagfeldt

We present a facile molecular-level interface engineering strategy to augment the long-term operational and thermal stability of perovskite solar cells (PSCs) by tailoring the interface between the perovskite and hole transporting layer (HTL) with a multifunctional ligand 2,5-thiophenedicarboxylic acid. The solar cells exhibited high operational stability (maximum powering point tracking at one sun illumination) with a stabilized TS80 (the time over which the device efficiency reduces to 80% after initial burn-in) of ≈5950 h at 40 °C and a stabilized power conversion efficiency (PCE) over 23%. The origin of high device stability and performance is correlated to the nano/sub-nanoscale molecular level interactions between ligand and perovskite layer, which is further corroborated by comprehensive multiscale characterization. These results provide insights into the modulation of the grain boundaries, local density of states, surface bandgap, and interfacial recombination. Chemical analysis of aged devices showed that molecular passivation suppresses interfacial ion diffusion and inhibits the photoinduced I2 release that irreversibly degrades the perovskite. The interfacial engineering strategies enabled by multifunctional ligands can expedite the path towards stable PSCs.