Understanding the Role of Oxygen Vacancy in Visible–Near-Infrared-Light-Absorbing Ferroelectric Perovskite Oxides Created by Off-Stoichiometry

Xiao, Hongyuan; Wang, Yufeng; Jiao, Nan; Guo, Yiping; Dong, Wen; Zhou, Hua; Li, Qian; Sun, Chengjun

doi:10.1002/aelm.201900407

Title: Understanding the Role of Oxygen Vacancy in Visible–Near-Infrared-Light-Absorbing Ferroelectric Perovskite Oxides Created by Off-Stoichiometry

Journal Article · 07 August 2019 · Advanced Electronic Materials

DOI: https://doi.org/10.1002/aelm.201900407 · OSTI ID:1599168

Xiao, Hongyuan ^[1]; Wang, Yufeng ^[1]; Jiao, Nan ^[1];

^[1]; Dong, Wen ^[2]; Zhou, Hua ^[3]; Li, Qian ^[3]; Sun, Chengjun ^[3]

Shanghai Jiao Tong Univ. (China). School of Materials Science and Engineering, State Key Lab. of Metal Matrix Composites
Univ. of Warwick, Coventry (United Kingdom). Dept. of Physics
Argonne National Lab. (ANL), Lemont, IL (United States). Advanced Photon Source (APS)

Recently, the visible or even-to-near-infrared light absorbing perovskite ABO₃ solid state solutions, show promising application in solar cells and multienergy harvesters or sensors by simultaneously introducing transition metal and oxygen vacancies. However, the existence of oxygen vacancies fundamentally causes photoexcited carrier trapping and large leakage current. Therefore, it is still challenging to limit oxygen vacancies while maintaining low bandgap and high ferroelectricity. Here, an efficient charge compensation strategy by finely adjusting the ion ratio on the A-site to obtain an oxygen-vacancy-free relaxer ferroelectric is demonstrated in the system of Na_xBiyTiO₃-BaTi_0.5Ni_0.5O₃, where y > x. It is found that the oxygen-vacancy-free composition still yields strong visible-near-infrared-light-absorbing and enhanced photoresponse, in which the photocurrent density doubles from approximate to 0.16 to approximate to 0.32 mu A cm^-2. A new bandgap tuning mechanism is proposed according to the local structural information of Ni ions obtained via extended X-ray absorption fine structure. Moreover, this work succeeds in establishing the relationship between the concentration of oxygen vacancies and ferroelectric/piezoelectric properties of Na_xBiyTiO₃-BaTi_0.5Ni_0.5O₃. Finally, this research points out a promising route to the material design of bandgap engineered ferroelectrics with controlled defects, which is expected to benefit a wide range of functional energy conversion devices.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division; National Natural Science Foundation of China (NSFC)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1599168

Journal Information:: Advanced Electronic Materials, Journal Name: Advanced Electronic Materials Journal Issue: 10 Vol. 5; ISSN 2199-160X

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
ferroelectrics
gap state
off-stoichiometry
oxygen vacancy
photovoltaic

Title: Understanding the Role of Oxygen Vacancy in Visible–Near-Infrared-Light-Absorbing Ferroelectric Perovskite Oxides Created by Off-Stoichiometry

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