Artikel ; Online: Understanding the piezocatalytic properties of the BaTiO
Physical chemistry chemical physics : PCCP
2023 Band 25, Heft 12, Seite(n) 8631–8640
Abstract: Piezoelectric materials have been reported to possess catalytic activity under mechanical excitation, such as by ultrasonic waves or collisions. Energy band theory (EBT) is often used to explain the piezocatalytic phenomenon caused by the strain-induced ... ...
Abstract | Piezoelectric materials have been reported to possess catalytic activity under mechanical excitation, such as by ultrasonic waves or collisions. Energy band theory (EBT) is often used to explain the piezocatalytic phenomenon caused by the strain-induced charge separation, but the correlation between the piezoelectric polarization and catalytic activity has still not been fully understood in early theoretical studies with the EBT model. To reveal the intrinsic connection between the piezoelectric feature and surface catalytic activity, in this work, we employ first-principles Density Functional Theory (DFT) to investigate the prototype piezocatalyst BaTiO |
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Sprache | Englisch |
Erscheinungsdatum | 2023-03-22 |
Erscheinungsland | England |
Dokumenttyp | Journal Article |
ZDB-ID | 1476244-4 |
ISSN | 1463-9084 ; 1463-9076 |
ISSN (online) | 1463-9084 |
ISSN | 1463-9076 |
DOI | 10.1039/d2cp05631c |
Datenquelle | MEDical Literature Analysis and Retrieval System OnLINE |
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