Interfacial Engineering of 2D Perovskite Solar Cells Using Molybdenum Oxide Thin Film as Interfacial Layer: A Simulation Study
Manas Ranjan Samantaray a, Sara Pescetelli b, Antonio Agresti c
a Centre for Hybrid and Organic Solar Energy, Department of Electronic Engineering University of Rome Tor Vergata, Rome, Italy
b Centre for Hybrid and Organic Solar Energy, Department of Electronic Engineering University of Rome Tor Vergata, Rome, Italy
c Centre for Hybrid and Organic Solar Energy, Department of Electronic Engineering University of Rome Tor Vergata, Rome, Italy
Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV25)
Roma, Italy, 2025 May 12th - 14th
Organizers: Filippo De Angelis, Francesca Brunetti and Claudia Barolo
Poster, Manas Ranjan Samantaray, 069
Publication date: 17th February 2025

Abstract:

Perovskite solar cells (PSCs) have emerged as a transformative technology in renewable energy, achieving power conversion efficiencies (PCEs) comparable to commercial solar technologies. However, their limited long-term stability poses a significant challenge to commercialization. Low-dimensional perovskites have demonstrated enhanced photostability; however, their wide bandgap poses challenges for maximizing output power, necessitating advanced strategies in device and interfacial engineering. In this study, we explore the potential of 2D perovskites by leveraging SCAPS-1D (Solar Cells Capacitance Simulator) to investigate the device architecture: FTO/TiO2/BA2MAn-1PbnI3n+1/MoOx/HTLs/Metals. Simulation results reveal that incorporating a thin molybdenum oxide (MoOx) layer at the 2D perovskite/HTL interface significantly enhances device performance. Key device parameters, including absorber layer thickness, defect density, operating temperature, and interfacial defect layer properties, and work function were meticulously studied to optimize performance. Under the optimized condition, device achieved a PCE of 22.69%, with JSC = 22.20 mA/cm², VOC = 1.20 V, and FF = 85.11%. Current research also efforts focus on device engineering and optimizing guanidinium (GA)-based 2D perovskites within this architecture. This work lays the groundwork for ongoing fabrication efforts and offers a robust framework for the development of next-generation perovskite photovoltaics.

Keywords: Perovskite solar cells, 2D perovskites, SCAPS-1D simulation, molybdenum oxide interface, device optimization.

We acknowledge financial support under the National Recovery and 
Resilience Plan (NRRP), Mission 4, Component 2, Investment 1.1, Call 
for tender No. 104 published on 2.2.2022 by the Italian Ministry of 
University and Research (MUR), funded by the European Union – 
NextGenerationEU– Project Title ELDORADO – CUP - 2022K9PFSJ Grant 
Assignment Decree No. 957 adopted on 30/06/2023 by the Italian 
Ministry of Ministry of University and Research (MUR).

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