A first-principles density functional theory study on the piezocatalytic activity of tetragonal perovskite PbTiO3

Piezoelectric materials have been found to possess high catalytic activity under external mechanical excitations, such as ultrasonic waves or collisions. Energy band theory (EBT) based on electronic excitation in semiconductors has been widely used to investigate piezocatalytic activity from a macro...

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Bibliographic Details
Main Authors: Xinyi Sun, Xiangyu Zhu, Erjun Kan, Cheng Zhan
Format: Article
Language:English
Published: Frontiers Media S.A. 2025-03-01
Series:Frontiers in Physics
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fphy.2025.1562239/full
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