Polarization-induced reversible electron-hole migration and redox reaction switching in ferroelectric single-atom photocatalysts.

Yuan Tang, Cen-Feng Fu, Xingxing Li, Jinlong Yang

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Article in Chemical science, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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1citing papers in PubMed

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1 citing paper in PubMed.

Selective HChemical science · 2026
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4 authors.

Yuan TangHefei National Laboratory, School of Emerging Technology, University of Science and Technology of China Hefei Anhui 230026 China.

Cen-Feng FuSchool of Materials Science and Engineering, Hefei University of Technology Hefei Anhui 230009 China cffu@hfut.edu.cn.

Xingxing LiHefei National Laboratory, State Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China Hefei Anhui 230026 China lixx@ustc.edu.cn.ORCID https://orcid.org/0000-0001-7820-0772

Jinlong YangHefei National Laboratory, State Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China Hefei Anhui 230026 China lixx@ustc.edu.cn.ORCID https://orcid.org/0000-0002-5651-5340

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6 · The paper itself

Abstract

Photocatalysts capable of switching between oxidation and reduction reactions at a single active site can efficiently harness solar energy to selectively generate target products on demand, and are thus eagerly pursued. However, realizing such photocatalysts is quite challenging due to the difficulty in simultaneously accumulating both types of carriers at a single site and meeting the stringent requirements for electron-hole separation. Here, we propose that the switchable out-of-plane polarization of two-dimensional ferroelectric materials can reversibly steer either photogenerated electrons or holes to single active sites, and further enable controllable switching of photocatalytic oxidation and reduction. The first-principles calculations and nonadiabatic molecular dynamics simulations, performed on a photocatalyst comprising a Pd single-atom anchored on a ferroelectric Sc

Identifiers

PMID41809548

DOI10.1039/d5sc09491g

PMCPMC12969072

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