Unveiling charge utilization mechanisms in ferroelectric for water splitting

Jie Zhang, Yong Liu, Thomas Dittrich, Zhuan Wang, Pengxiang Ji, Mingrun Li, Na Ta, Hongyan Zhang, Chao Zhen, Yanjun Xu, Dongfeng Li, Zhendong Feng, Zheng Li, Yaling Luo, Junhao Cui, Dong Su, Yuxiang Weng, Gang Liu, Xiuli Wang, Fengtao Fan () and Can Li ()
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Jie Zhang: Chinese Academy of Sciences
Yong Liu: Chinese Academy of Sciences
Thomas Dittrich: Institut für Silizium-Photovoltaik
Zhuan Wang: Chinese Academy of Sciences
Pengxiang Ji: University of Chinese Academy of Sciences
Mingrun Li: Chinese Academy of Sciences
Na Ta: Chinese Academy of Sciences
Hongyan Zhang: Chinese Academy of Sciences
Chao Zhen: Chinese Academy of Sciences
Yanjun Xu: Chinese Academy of Sciences
Dongfeng Li: Chinese Academy of Sciences
Zhendong Feng: Chinese Academy of Sciences
Zheng Li: Chinese Academy of Sciences
Yaling Luo: Chinese Academy of Sciences
Junhao Cui: Chinese Academy of Sciences
Dong Su: Chinese Academy of Sciences
Yuxiang Weng: Chinese Academy of Sciences
Gang Liu: Chinese Academy of Sciences
Xiuli Wang: Chinese Academy of Sciences
Fengtao Fan: Chinese Academy of Sciences
Can Li: Chinese Academy of Sciences

Nature Communications, 2025, vol. 16, issue 1, 1-12

Abstract: Abstract Charge separation is a critical process for achieving high photocatalytic efficiency, and ferroelectrics hold significant potential for facilitating effective charge separation. However, few studies have demonstrated substantial photocatalytic activity in these materials. In this study, we demonstrate that in ferroelectric PbTiO3, surface Ti vacancy defects near the positively polarized facets impede photocatalytic performance by trapping electrons and inducing their recombination. To tackle this issue, we selectively grew SrTiO3 nanolayers on the polarized facets PbTiO3, effectively mitigating interface Ti defects. This modification establishes a efficient electron transfer pathway at the interface between the positively polarized facets and the cocatalyst, extending the electron lifetime from 50 microseconds to the millisecond scale and significantly increasing electron participation in water-splitting reactions. Consequently, the apparent quantum yield for overall water splitting achieves the highest values reported to date for ferroelectric photocatalytic materials. This work provides an effective strategy for designing advanced ferroelectric photocatalytic systems.

Date: 2025
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DOI: 10.1038/s41467-025-56359-y

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