The Effect of Chemical Environment and Temperature on the Domain Structure of Free‐Standing BaTiO3 via In Situ STEM

Abstract Ferroelectrics, due to their polar nature and reversible switching, can be used to dynamically control surface chemistry for catalysis, chemical switching, and other applications such as water splitting. However, this is a complex phenomenon where ferroelectric domain orientation and switch...

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Main Authors: Tamsin O'Reilly, Kristina M. Holsgrove, Xinqiao Zhang, John J. R. Scott, Iaro Gaponenko, Praveen Kumar, Joshua Agar, Patrycja Paruch, Miryam Arredondo
Format: Article
Language:English
Published: Wiley 2023-10-01
Series:Advanced Science
Subjects:
Online Access:https://doi.org/10.1002/advs.202303028
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author Tamsin O'Reilly
Kristina M. Holsgrove
Xinqiao Zhang
John J. R. Scott
Iaro Gaponenko
Praveen Kumar
Joshua Agar
Patrycja Paruch
Miryam Arredondo
author_facet Tamsin O'Reilly
Kristina M. Holsgrove
Xinqiao Zhang
John J. R. Scott
Iaro Gaponenko
Praveen Kumar
Joshua Agar
Patrycja Paruch
Miryam Arredondo
author_sort Tamsin O'Reilly
collection DOAJ
description Abstract Ferroelectrics, due to their polar nature and reversible switching, can be used to dynamically control surface chemistry for catalysis, chemical switching, and other applications such as water splitting. However, this is a complex phenomenon where ferroelectric domain orientation and switching are intimately linked to surface charges. In this work, the temperature‐induced domain behavior of ferroelectric‐ferroelastic domains in free‐standing BaTiO3 films under different gas environments, including vacuum and oxygen‐rich, is studied by in situ scanning transmission electron microscopy (STEM). An automated pathway to statistically disentangle and detect domain structure transformations using deep autoencoders, providing a pathway towards real‐time analysis is also established. These results show a clear difference in the temperature at which phase transition occurs and the domain behavior between various environments, with a peculiar domain reconfiguration at low temperatures, from a‐c to a‐a at ≈60 °C. The vacuum environment exhibits a rich domain structure, while under the oxidizing environment, the domain structure is largely suppressed. The direct visualization provided by in situ gas and heating STEM allows to investigate the influence of external variables such as gas, pressure, and temperature, on oxide surfaces in a dynamic manner, providing invaluable insights into the intricate surface‐screening mechanisms in ferroelectrics.
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spelling doaj-art-5775e1c50b504c039e8083c6f46f486a2024-11-22T13:11:49ZengWileyAdvanced Science2198-38442023-10-011029n/an/a10.1002/advs.202303028The Effect of Chemical Environment and Temperature on the Domain Structure of Free‐Standing BaTiO3 via In Situ STEMTamsin O'Reilly0Kristina M. Holsgrove1Xinqiao Zhang2John J. R. Scott3Iaro Gaponenko4Praveen Kumar5Joshua Agar6Patrycja Paruch7Miryam Arredondo8School of Mathematics and Physics Queen's University Belfast Belfast BT7 1NN UKSchool of Mathematics and Physics Queen's University Belfast Belfast BT7 1NN UKDepartment of Mechanical Engineering and Mechanics Drexel University Philadelphia PA 19104 USASchool of Mathematics and Physics Queen's University Belfast Belfast BT7 1NN UKDQMP University of Geneva Geneva 1211 SwitzerlandSchool of Mathematics and Physics Queen's University Belfast Belfast BT7 1NN UKDepartment of Mechanical Engineering and Mechanics Drexel University Philadelphia PA 19104 USADQMP University of Geneva Geneva 1211 SwitzerlandSchool of Mathematics and Physics Queen's University Belfast Belfast BT7 1NN UKAbstract Ferroelectrics, due to their polar nature and reversible switching, can be used to dynamically control surface chemistry for catalysis, chemical switching, and other applications such as water splitting. However, this is a complex phenomenon where ferroelectric domain orientation and switching are intimately linked to surface charges. In this work, the temperature‐induced domain behavior of ferroelectric‐ferroelastic domains in free‐standing BaTiO3 films under different gas environments, including vacuum and oxygen‐rich, is studied by in situ scanning transmission electron microscopy (STEM). An automated pathway to statistically disentangle and detect domain structure transformations using deep autoencoders, providing a pathway towards real‐time analysis is also established. These results show a clear difference in the temperature at which phase transition occurs and the domain behavior between various environments, with a peculiar domain reconfiguration at low temperatures, from a‐c to a‐a at ≈60 °C. The vacuum environment exhibits a rich domain structure, while under the oxidizing environment, the domain structure is largely suppressed. The direct visualization provided by in situ gas and heating STEM allows to investigate the influence of external variables such as gas, pressure, and temperature, on oxide surfaces in a dynamic manner, providing invaluable insights into the intricate surface‐screening mechanisms in ferroelectrics.https://doi.org/10.1002/advs.202303028BaTiO3 free‐standing filmchemical environmentin situ heating STEMdomains
spellingShingle Tamsin O'Reilly
Kristina M. Holsgrove
Xinqiao Zhang
John J. R. Scott
Iaro Gaponenko
Praveen Kumar
Joshua Agar
Patrycja Paruch
Miryam Arredondo
The Effect of Chemical Environment and Temperature on the Domain Structure of Free‐Standing BaTiO3 via In Situ STEM
Advanced Science
BaTiO3 free‐standing film
chemical environment
in situ heating STEM
domains
title The Effect of Chemical Environment and Temperature on the Domain Structure of Free‐Standing BaTiO3 via In Situ STEM
title_full The Effect of Chemical Environment and Temperature on the Domain Structure of Free‐Standing BaTiO3 via In Situ STEM
title_fullStr The Effect of Chemical Environment and Temperature on the Domain Structure of Free‐Standing BaTiO3 via In Situ STEM
title_full_unstemmed The Effect of Chemical Environment and Temperature on the Domain Structure of Free‐Standing BaTiO3 via In Situ STEM
title_short The Effect of Chemical Environment and Temperature on the Domain Structure of Free‐Standing BaTiO3 via In Situ STEM
title_sort effect of chemical environment and temperature on the domain structure of free standing batio3 via in situ stem
topic BaTiO3 free‐standing film
chemical environment
in situ heating STEM
domains
url https://doi.org/10.1002/advs.202303028
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