DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Fluoride‐Based Anion Doping: A New Strategy for Improving the Performance of Protonic Ceramic Conductors of the Form BaZrO 3

Journal Article · · ChemElectroChem
 [1];  [2];  [1];  [2];  [1]
  1. Department of Materials Science and Engineering Clemson University Clemson SC 29634 USA
  2. Department of Mechanical Engineering University of South Carolina Columbia SC 29201

Abstract A new strategy is reported to improve the performance of BaZrO 3 ‐based protonic ceramic conductors by substitution on the anion sublattice, specifically replacing F in the O 2− site. The F ‐doped material exhibited higher conductivity under both reducing and oxidizing atmospheres compared to the undoped oxide. Ab initio calculations and X‐ray photoelectron spectroscopy results showed that the improved performance can be attributed to weakened chemical bonding between the cations (A or B site) and the oxygen ions as a result of F doping, resulting in improved oxygen mobility. Finally, improved performance was demonstrated by using BaZr 0.8 Y 0.2 O 3‐ δ ‐ σ F σ (σ=0.1) as the electrolyte in protonic ceramic fuel cells measurements. The anions doping strategy shows great promise for the development of a new generation of high‐performance electrolyte materials.

Sponsoring Organization:
USDOE
Grant/Contract Number:
NE0008703
OSTI ID:
1631071
Journal Information:
ChemElectroChem, Journal Name: ChemElectroChem Journal Issue: 10 Vol. 7; ISSN 2196-0216
Publisher:
Wiley Blackwell (John Wiley & Sons)Copyright Statement
Country of Publication:
Germany
Language:
English

References (31)

Towards the Next Generation of Solid Oxide Fuel Cells Operating Below 600 °C with Chemically Stable Proton-Conducting Electrolytes journal September 2011
Unprecedented Perovskite Oxyfluoride Membranes with High-Efficiency Oxygen Ion Transport Paths for Low-Temperature Oxygen Permeation journal March 2016
Anion Doping: A New Strategy for Developing High-Performance Perovskite-Type Cathode Materials of Solid Oxide Fuel Cells journal May 2017
Investigation of protonic conduction in Yb- and Y-doped barium zirconates journal December 1995
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Fuel cell materials and components☆☆☆The Golden Jubilee Issue—Selected topics in Materials Science and Engineering: Past, Present and Future, edited by S. Suresh. journal November 2003
Electrical properties of proton-conducting BaCe0.8Y0.2O3-δ and the effects of bromine addition journal April 2019
Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data journal August 2011
Proton-conducting solid oxide fuel cell (SOFC) with Y-doped BaZrO 3 electrolyte journal July 2017
Novel fluoride-doped barium cerate applied as stable electrolyte in proton conducting solid oxide fuel cells journal November 2015
Further optimization of barium cerate properties via co-doping strategy for potential application as proton-conducting solid oxide fuel cell electrolyte journal May 2018
A high-performance reversible protonic ceramic electrochemical cell based on a novel Sm-doped BaCe0·7Zr0·1Y0·2O3-δ electrolyte journal November 2019
Tailoring hydrogen separation performance through the ceramic lanthanum tungstate membranes by chlorine doping journal March 2019
BaCeO3: Materials development, properties and application journal March 2014
Tailoring the chemical stability of Ba(Ce0.8−xZrx)Y0.2O3−δ protonic conductors for Intermediate Temperature Solid Oxide Fuel Cells (IT-SOFCs) journal June 2008
Cost-effective solid-state reactive sintering method for high conductivity proton conducting yttrium-doped barium zirconium ceramics journal April 2010
Proton Distribution and Dynamics in Y- and Zn-Doped BaZrO 3 journal August 2014
Direct oxidation of hydrocarbons in a solid-oxide fuel cell journal March 2000
Opportunities and challenges for a sustainable energy future journal August 2012
Highly durable, coking and sulfur tolerant, fuel-flexible protonic ceramic fuel cells journal May 2018
Correlation between electroconductive and structural properties of proton conductive acceptor-doped barium zirconate journal January 2015
Unravelling the fundamentals of thermal and chemical expansion of BaCeO 3 from first principles phonon calculations journal January 2016
Recent activity in the development of proton-conducting oxides for high-temperature applications journal January 2016
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Generalized Gradient Approximation Made Simple journal October 1996
Ceramic Fuel Cells journal March 1993
An Octane-Fueled Solid Oxide Fuel Cell journal May 2005
Enhanced Sulfur and Coking Tolerance of a Mixed Ion Conductor for SOFCs: BaZr0.1Ce0.7Y0.2–xYbxO3–δ journal October 2009
Effect of anion doping on mobility of ionic charge carriers in solid solutions based on Ba2In2O5 journal July 2013
Microstructure, Proton Concentration and Proton Conductivity of Barium Zirconate Doped with Ho, Er, Tm and Yb journal January 2016