Tailoring the NiOx/MeO-2PACz Interface via Molecular Post-Treatments for Perovskite Solar Cell
Faegheh Esmaeili a, Silvia colella b, Maria Michela Giangregorio b, Andrea Listorti c, Sabrina Mokrani a
a Politecnico di Bari, via Orabona, Bari 70100, Italy
b CNR-NANOTEC Istituto di Nanotecnologia, Via Orabona 4, 70125 Bari, Italy
c Università degli studi di Bari Aldo Moro, Dipartimento di Chimica
Proceedings of MATSUS Fall 2026 Conference (MATSUSFall26)
B2 Ionic Dynamics and Transport Phenomena in Metal Halide Perovskites
Palma, Spain, 2026 October 26th - 30th
Organizers: Silvia Colella, Sofia Masi and Pablo P. Boix
Oral, Faegheh Esmaeili, presentation 407
Publication date: 22nd July 2026

 

Organic-inorganic hybrid perovskite solar cells (PSCs) have achieved remarkable progress, with certified power conversion efficiencies (PCEs) exceeding 27.3% [1]. A critical factor in this advancement is the engineering of the buried interface between the hole transport layer (HTL) and the perovskite absorber [2]. While self-assembled monolayers (SAMs) such as MeO-2PACz are widely used to tune energy levels and suppress interfacial defects, achieving uniform, stable, and well-anchored coverage on metal oxide substrates like NiOx remains challenging [3].

In this work [4], we present a robust interfacial engineering strategy to regulate the NiOx/MeO-2PACz interface through three distinct post-treatment approaches based on dimethyl sulfoxide (DMSO): (1) simple DMSO rinsing to improve surface homogeneity by removing weakly bound molecules, (2) treatment with a MeO-2PACz-containing DMSO solution to replenish and restore SAM coverage, and (3) the application of an APTES-containing DMSO solution to enhance interfacial adhesion and passivate defects via amino-group functionality. Through atomic force microscopy (AFM) and Raman spectroscopy, we demonstrate that these treatments optimize molecular ordering and foster stronger chemical anchoring to the substrate. Consequently, these modified interfaces facilitate superior perovskite crystallization with enlarged grain sizes and suppressed non-radiative recombination. While the MeO-2PACz/DMSO treatment produced the most homogeneous interface, APTES-modified devices exhibited the highest photovoltaic performance, achieving a PCE of approximately 18.5%, a VOC of 1.02 V, and an FF of 75%. This result highlights the importance of interfacial defect passivation in addition to morphological optimization for achieving high-performance inverted perovskite solar cells.

 

 

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