Understanding piezocatalysis of barium titanate in solution from quantum-continuum-electrochemical theory

Abstract Piezocatalysis has shown great potential in non-invasive medical treatment and pollutant removal. Since piezocatalysis usually occurs in solution, capturing the effect of the solution is essential in mechanistic study. However, conventional theoretical methods cannot handle the interaction...

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Bibliographic Details
Main Authors: Xiangyu Zhu, Cheng Zhan, Erjun Kan
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01746-8
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