Evaluation of polymorphism and charge transport in a BaO–CaO–Ta<sub>2</sub>O<sub>5</sub> perovskite phase diagram using TOF-neutron and synchrotron X-ray diffraction, the bond-valence method and impedance spectroscopy-Reference-Cited by-同舟云学术

Evaluation of polymorphism and charge transport in a BaO–CaO–Ta₂O₅ perovskite phase diagram using TOF-neutron and synchrotron X-ray diffraction, the bond-valence method and impedance spectroscopy

Published:2022 Issue:41 Volume:10 Page:22257-22270
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Singh Kalpana¹,Yang Hua²³,Zhang Zheyu¹^ORCID,Avdeev Maxim⁴⁵^ORCID,Huq Ashfia⁶,Wu Dong-Ying⁷,Lee Jey-Jau⁷,Kan Wang Hay²³^ORCID,Thangadurai Venkataraman¹^ORCID

Affiliation:

1. Department of Chemistry, University of Calgary, Calgary, Alberta, T2N 1N4, Canada

2. Dongguan Neutron Science Center, No. 1 Zhongziyuan Road, Dongguan, Guangdong, 523803, China

3. Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China

4. Australian Nuclear Science and Technology Organisation (ANSTO), New Illawarra Road, Lucas Heights, New South Wales 2234, Australia

5. School of Chemistry, University of Sydney, Sydney, NSW 2006, Australia

6. Neutron Scattering Science Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA

7. National Synchrotron Radiation Research Center, No. 101 Hsin-Ann Rd, Hsinchu 300, Taiwan

Abstract

In the present work, we develop a comprehensive functional phase diagram for the Ba–Ca–Ta–O quaternary system Ba3Ca1+xTa2−xO9−3x/2 (0 ≤ x ≤ 0.36) between 1000 and 1550 °C, coupled with theoretical calculations of the cationic ordering in supercells.

Funder

Natural Sciences and Engineering Research Council of Canada

Natural Science Foundation of Guangdong Province

National Natural Science Foundation of China

Basic Energy Sciences

U.S. Department of Energy

Australian Nuclear Science and Technology Organisation

Canada First Research Excellence Fund

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry