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

Abstract

Recently, the visible or even-to-near-infrared light absorbing perovskite ABO 3 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 xBiyTiO 3-BaTi 0.5Ni 0.5O 3, 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 xBiyTiO 3-BaTi 0.5Ni 0.5O 3. Finally, this research points out a promising route to the material design of bandgap engineered ferroelectrics with controlled defects, which ismore » expected to benefit a wide range of functional energy conversion devices.« less

Authors:
 [1];  [1];  [1]; ORCiD logo [1];  [2];  [3];  [3];  [3]
  1. Shanghai Jiao Tong Univ. (China). School of Materials Science and Engineering, State Key Lab. of Metal Matrix Composites
  2. Univ. of Warwick, Coventry (United Kingdom). Dept. of Physics
  3. Argonne National Lab. (ANL), Lemont, IL (United States). Advanced Photon Source (APS)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division; National Natural Science Foundation of China (NNSFC)
OSTI Identifier:
1599168
Grant/Contract Number:  
[AC02-06CH11357; 11874257; 11474199; 51332009]
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Electronic Materials
Additional Journal Information:
[ Journal Volume: 5; Journal Issue: 10]; Journal ID: ISSN 2199-160X
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ferroelectrics; gap state; off-stoichiometry; oxygen vacancy; photovoltaic

Citation Formats

Xiao, Hongyuan, Wang, Yufeng, Jiao, Nan, Guo, Yiping, Dong, Wen, Zhou, Hua, Li, Qian, and Sun, Chengjun. Understanding the Role of Oxygen Vacancy in Visible–Near-Infrared-Light-Absorbing Ferroelectric Perovskite Oxides Created by Off-Stoichiometry. United States: N. p., 2019. Web. doi:10.1002/aelm.201900407.
Xiao, Hongyuan, Wang, Yufeng, Jiao, Nan, Guo, Yiping, Dong, Wen, Zhou, Hua, Li, Qian, & Sun, Chengjun. Understanding the Role of Oxygen Vacancy in Visible–Near-Infrared-Light-Absorbing Ferroelectric Perovskite Oxides Created by Off-Stoichiometry. United States. doi:10.1002/aelm.201900407.
Xiao, Hongyuan, Wang, Yufeng, Jiao, Nan, Guo, Yiping, Dong, Wen, Zhou, Hua, Li, Qian, and Sun, Chengjun. Wed . "Understanding the Role of Oxygen Vacancy in Visible–Near-Infrared-Light-Absorbing Ferroelectric Perovskite Oxides Created by Off-Stoichiometry". United States. doi:10.1002/aelm.201900407.
@article{osti_1599168,
title = {Understanding the Role of Oxygen Vacancy in Visible–Near-Infrared-Light-Absorbing Ferroelectric Perovskite Oxides Created by Off-Stoichiometry},
author = {Xiao, Hongyuan and Wang, Yufeng and Jiao, Nan and Guo, Yiping and Dong, Wen and Zhou, Hua and Li, Qian and Sun, Chengjun},
abstractNote = {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 NaxBiyTiO3-BaTi0.5Ni0.5O3, 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 NaxBiyTiO3-BaTi0.5Ni0.5O3. 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.},
doi = {10.1002/aelm.201900407},
journal = {Advanced Electronic Materials},
number = [10],
volume = [5],
place = {United States},
year = {2019},
month = {8}
}

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Works referenced in this record:

Metal-halide perovskites for photovoltaic and light-emitting devices
journal, May 2015

  • Stranks, Samuel D.; Snaith, Henry J.
  • Nature Nanotechnology, Vol. 10, Issue 5
  • DOI: 10.1038/nnano.2015.90

Structural Characterization of Ni-Substituted Hexaaluminate Catalysts Using EXAFS, XANES, XPS, XRD, and TPR
journal, April 2010

  • Gardner, Todd H.; Spivey, James J.; Kugler, Edwin L.
  • The Journal of Physical Chemistry C, Vol. 114, Issue 17
  • DOI: 10.1021/jp9117634

A Bi 2 WO 6 -Based Hybrid Photocatalyst with Broad Spectrum Photocatalytic Properties under UV, Visible, and Near-Infrared Irradiation
journal, July 2013


APPLIED PHYSICS: Tunneling Across a Ferroelectric
journal, July 2006


Large Electric Field-Induced Strain and Antiferroelectric Behavior in (1- x )(Na 0.5 Bi 0.5 )TiO 3 - x BaTiO 3 Ceramics
journal, January 2011

  • Guo, Yiping; Liu, Yun; Withers, Ray L.
  • Chemistry of Materials, Vol. 23, Issue 2
  • DOI: 10.1021/cm102719k

Visible-Light Photocatalysis in Nitrogen-Doped Titanium Oxides
journal, July 2001


ESR study on the visible photocatalytic mechanism of nitrogen-doped novel TiO2
journal, November 2011


Enhancement of photovoltaic properties with Nb modified (Bi, Na) TiO3–BaTiO3 ferroelectric ceramics
journal, February 2014


Double perovskite Bi2FeMo Ni1-O6 thin films: Novel ferroelectric photovoltaic materials with narrow bandgap and enhanced photovoltaic performance
journal, December 2018


Greatly reduced leakage current and conduction mechanism in aliovalent-ion-doped BiFeO3
journal, February 2005

  • Qi, Xiaoding; Dho, Joonghoe; Tomov, Rumen
  • Applied Physics Letters, Vol. 86, Issue 6
  • DOI: 10.1063/1.1862336

Ultrahigh piezoelectricity in ferroelectric ceramics by design
journal, March 2018


Recent advances in magnetic structure determination by neutron powder diffraction
journal, October 1993


Wide bandgap tunability in complex transition metal oxides by site-specific substitution
journal, January 2012

  • Choi, Woo Seok; Chisholm, Matthew F.; Singh, David J.
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms1690

Bulk photovoltaic effect in noncentrosymmetric crystals
journal, July 2001


A photoferroelectric material is more than the sum of its parts
journal, March 2012

  • Kreisel, J.; Alexe, M.; Thomas, P. A.
  • Nature Materials, Vol. 11, Issue 4
  • DOI: 10.1038/nmat3282

Near Infrared Absorption of Tungsten Oxide Nanoparticle Dispersions
journal, September 2007


Unraveling the enhanced Oxygen Vacancy Formation in Complex Oxides during Annealing and Growth
journal, January 2017

  • Hensling, Felix V. E.; Xu, Chencheng; Gunkel, Felix
  • Scientific Reports, Vol. 7, Issue 1
  • DOI: 10.1038/srep39953

Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials
journal, November 2013

  • Grinberg, Ilya; West, D. Vincent; Torres, Maria
  • Nature, Vol. 503, Issue 7477, p. 509-512
  • DOI: 10.1038/nature12622

Switchable Ferroelectric Diode and Photovoltaic Effect in BiFeO 3
journal, February 2009


High-Efficiency Ferroelectric-Film Solar Cells with an n-type Cu 2 O Cathode Buffer Layer
journal, May 2012

  • Cao, Dawei; Wang, Chunyan; Zheng, Fengang
  • Nano Letters, Vol. 12, Issue 6
  • DOI: 10.1021/nl300009z

Phase diagram of unpoled lead-free – ceramics
journal, September 2010


Role of oxygen vacancy in the plasma-treated TiO2 photocatalyst with visible light activity for NO removal
journal, November 2000

  • Nakamura, Isao; Negishi, Nobuaki; Kutsuna, Shuzo
  • Journal of Molecular Catalysis A: Chemical, Vol. 161, Issue 1-2
  • DOI: 10.1016/S1381-1169(00)00362-9

Above-bandgap voltages from ferroelectric photovoltaic devices
journal, January 2010


Optimizing nanoparticle perovskite for bifunctional oxygen electrocatalysis
journal, January 2016

  • Jung, Jae-Il; Risch, Marcel; Park, Seungkyu
  • Energy & Environmental Science, Vol. 9, Issue 1
  • DOI: 10.1039/C5EE03124A

Structural mechanism behind piezoelectric enhancement in off-stoichiometric Na0.5Bi0.5TiO3 based lead-free piezoceramics
journal, February 2019


Morphology-Controlled Synthesis of W 18 O 49 Nanostructures and Their Near-Infrared Absorption Properties
journal, March 2012

  • Guo, Chongshen; Yin, Shu; Yan, Mei
  • Inorganic Chemistry, Vol. 51, Issue 8
  • DOI: 10.1021/ic300049j

New Four-Die Forging Devices (FDFD) Design Solutions and Open-Die Forging Technologies
journal, January 2018


Dynamical mechanism of phase transitions in A -site ferroelectric relaxor ( Na 1 / 2 Bi 1 / 2 ) TiO 3
journal, October 2014


Oxygen Diffusion in SrTiO 3 and Related Perovskite Oxides
journal, August 2015