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Title: Tuning photovoltaic performance of perovskite nickelates heterostructures by changing the a‑site rare-earth element
Authors: Chang, Lei
Wang, Le
You, Lu
Yang, Zhenzhong
Abdelsamie, Amr
Zhang, Qinghua
Zhou, Yang
Gu, Lin
Chambers, Scott A.
Wang, Junling
Keywords: Engineering::Materials
Issue Date: 2019
Source: Chang, L., Wang, L., You, L., Yang, Z., Abdelsamie, A., Zhang, Q., . . . Wang, J. (2019). Tuning photovoltaic performance of perovskite nickelates heterostructures by changing the a‑site rare-earth element. ACS Applied Materials & Interfaces, 11(17), 16191-16197. doi:10.1021/acsami.9b01851
Journal: ACS Applied Materials & Interfaces
Abstract: Perovskite rare-earth nickelates (RNiO3) have attracted much attention because of their exotic physical properties and rich potential applications. Here, we report systematic tuning of the electronic structures of RNiO3 (R = Nd, Sm, Gd, and Lu) by isovalent A-site substitution. By integrating RNiO3 thin films with Nb-doped SrTiO3 (NSTO), p-n heterojunction photovoltaic cells have been prepared and their performance has been investigated. The open-circuit voltage increases monotonically with decreasing A-site cation radius. This change results in a downward shift of the Fermi level and induces an increase in the built-in potential at the RNiO3/NSTO heterojunction, with LuNiO3/NSTO showing the largest open-circuit voltage. At the same time, the short-circuit current initially increases upon changing the A-site element from Nd to Sm. However, the larger bandgaps of GdNiO3 and LuNiO3 reduce light absorption which in turn induces a decrease in the short-circuit current. A power conversion efficiency of 1.13% has been achieved by inserting an ultrathin insulating SrTiO3 layer at the SmNiO3/NSTO interface. Our study illustrates how changing the A-site cation is an effective strategy for tuning photovoltaic performance and sheds light on which A-site element is the best for photovoltaic applications, which can significantly increase the applicability of nickelates in optoelectric devices.
ISSN: 1944-8244
DOI: 10.1021/acsami.9b01851
Rights: This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Applied Materials & Interfaces, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see
Fulltext Permission: open
Fulltext Availability: With Fulltext
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