Energy Band Gap Modulation in Nd-Doped BiFeO3/SrRuO3 Heteroepitaxy for Visible Light Photoelectrochemical Activity

Tan, Kok Hong and Chen, Yun Wen and Van, Chien Nguyen and Wang, Hongliang and Chen, Jhih Wei and Lim, Fang Sheng and Chew, Khian Hooi and Zhan, Qian and Wu, Chung Lin and Chai, Siang Piao and Chu, Ying Hao and Chang, Wei Sea (2019) Energy Band Gap Modulation in Nd-Doped BiFeO3/SrRuO3 Heteroepitaxy for Visible Light Photoelectrochemical Activity. ACS Applied Materials & Interfaces, 11 (1). pp. 1655-1664. ISSN 1944-8244

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Official URL: https://doi.org/10.1021/acsami.8b17758

Abstract

The ability of band offsets at multiferroic/metal and multiferroic/electrolyte interfaces in controlling charge transfer and thus altering the photoactivity performance has sparked significant attention in solar energy conversion applications. Here, we demonstrate that the band offsets of the two interfaces play the key role in determining charge transport direction in a downward self-polarized BFO film. Electrons tend to move to BFO/electrolyte interface for water reduction. Our experimental and first-principle calculations reveal that the presence of neodymium (Nd) dopants in BFO enhances the photoelectrochemical performance by reduction of the local electron-hole pair recombination sites and modulation of the band gap to improve the visible light absorption. This opens a promising route to the heterostructure design by modulating the band gap to promote efficient charge transfer. © 2018 American Chemical Society.

Item Type: Article
Uncontrolled Keywords: charge transfer; density functional theory (DFT); heterojunction band offsets; Nd-doped BiFeO 3; photoelectrochemical (PEC)
Subjects: Q Science > QC Physics
T Technology > TJ Mechanical engineering and machinery
T Technology > TP Chemical technology
Divisions: Faculty of Science > Dept of Physics
Depositing User: Ms. Juhaida Abd Rahim
Date Deposited: 03 Jan 2020 06:17
Last Modified: 03 Jan 2020 06:17
URI: http://eprints.um.edu.my/id/eprint/23303

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