標題: Energy Band Gap Modulation in Nd-Doped BiFeO3/SrRuO3 Heteroepitaxy for Visible Light Photoelectrochemical Activity
作者: Tan, Kok Hong
Chen, Yun-Wen
Chien Nguyen Van
Wang, Hongliang
Chen, Jhih-Wei
Lim, Fang Sheng
Chew, Khian-Hooi
Zhan, Qian
Wu, Chung-Lin
Chai, Siang-Piao
Chu, Ying-Hao
Chang, Wei Sea
材料科學與工程學系
Department of Materials Science and Engineering
關鍵字: heterojunction band offsets;charge transfer;Nd-doped BiFeO3;density functional theory (DFT);photoelectrochemical (PEC)
公開日期: 9-Jan-2019
摘要: 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.
URI: http://dx.doi.org/10.1021/acsami.8b17758
http://hdl.handle.net/11536/148711
ISSN: 1944-8244
DOI: 10.1021/acsami.8b17758
期刊: ACS APPLIED MATERIALS & INTERFACES
Volume: 11
起始頁: 1655
結束頁: 1664
Appears in Collections:Articles