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DOE OSTI · 3022514

Morphology-driven oxygen evolution performance of NiO x nanostructures and implications for hole transport in perovskite solar cells

Abstract

Morphology-controlled nanostructures provide an effective strategy to modulate both oxygen evolution reaction (OER) activity and photovoltaic performance in perovskite solar cells (PSCs). However, achieving low OER overpotentials and high power conversion efficiency (PCE) simultaneously through morphology engineering remains challenging. In this work, nickel oxide (NiO x ) nanostructures with spindle-like (NiO x -NS) and plate-like (NiO x -NP) morphologies were synthesized and evaluated as bi-functional OER catalysts and hole transport layers (HTLs) in inverted PSCs. Structural and thermal analyses reveal that NiO x -NS crystallizes into a cubic phase at a lower temperature (300 °C), whereas NiO x -NP requires higher calcination temperatures, reflecting differences in precursor microstructure. Electrochemical measurements indicate that NiO x -NS calcined at 300 °C delivers the lowest OER overpotential (395 mV at 10 mA cm −2 ), outperforming NiO x -NP calcined at 400 °C (565 mV) and 500 °C (474 mV). This enhanced activity is ascribed to favorable surface strain, increased defect density, and advantageous facet exposure. When used as HTLs, NiO x -NS also delivers the highest PCE (13.25%) among all tested devices, exceeding those based on NiO x -NP and commercial NiO x , owing to improved hole extraction and interfacial contact. Overall, this study highlights the importance of morphology control and thermal processing in tailoring NiO x for multifunctional nanomaterials in electrocatalytic and photovoltaic applications.

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Bharathan, Prabhu [State University of New York (SUNY), Binghamton, NY (United States)] (ORCID:0000000228635425), Li, Can [State University of New York (SUNY), Binghamton, NY (United States)] (ORCID:0000000188945110), Rijal, Bipin [Binghamton University, NY (United States)] (ORCID:0009000080294739), Zhang, Lihua [Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)] (ORCID:0000000178415562), Maryam, Areesha [State University of New York (SUNY), Binghamton, NY (United States)], Delgado, Joseph [State University of New York (SUNY), Binghamton, NY (United States)], Kisslinger, Kim [Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)], Priyadarsini, Adyasa [Florida A & M University, Tallahassee, FL (United States)], Nepal, Mahesh [Binghamton University, NY (United States)] (ORCID:0009000469710032), Bhushal, Tanka P. [Binghamton University, NY (United States)], Dhakal, Tara P. [State University of New York (SUNY), Binghamton, NY (United States); Binghamton University, NY (United States)] (ORCID:0000000308853254), Kattel, Shyam [University of Central Florida, Orlando, FL (United States)] (ORCID:0000000258435889), Fang, Jiye [State University of New York (SUNY), Binghamton, NY (United States)] (ORCID:0000000337033204). 2026-02-18. Morphology-driven oxygen evolution performance of NiO x nanostructures and implications for hole transport in perovskite solar cells. https://doi.org/10.1039/d6ra00607h

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36 MATERIALS SCIENCE